subject:(MOFs)

University of St. Andrews

1. Haja Mohideen, Mohamed Infas. Novel metal organic frameworks : synthesis, characterisation and functions .

Degree: 2011, University of St. Andrews

► The synthesis and properties of novel Metal Organic Frameworks were investigated and reported in this thesis. Thirteen new materials have been synthesized and their properties… (more)

▼ The synthesis and properties of novel Metal Organic Frameworks were investigated and reported in this thesis. Thirteen new materials have been synthesized and their properties have been discussed with nine of the structures being solved. The most interesting and useful MOF among the thirteen materials is STAM-1, a copper-based Metal Organic Framework in which the starting linker (Benzene-1,3,5-tricarboxylic acid) undergoes selective in situ monoesterification during the synthesis. The monoesterified BTC can be recovered easily from the MOF, opening up MOF synthesis as a “protection” tool for unexpected selectivity in preparative chemistry that is difficult to accomplish using standard organic chemistry approaches. The selective linker derivatisation leads to the formation of a porous MOF with two types of accessible channel; one hydrophilic lined by copper and the other hydrophobic, lined by the ester groups. The unique structure of the pores leads to unprecedented adsorption behaviour, which reacts differently to gases or vapours of dissimilar chemistry and allows them to access different parts of the structure. The structural flexibility of STAM-1 shows significant differences in the kinetics of O₂ and N₂ adsorption, showing potential for new materials to be developed for air separation. Having two types of channel systems, adsorption can be switched between the two channels by judicious choice of the conditions; a thermal trigger to open the hydrophilic channel and a chemical trigger to open the hydrophobic channel. The storage and release capability of NO in STAM-1 was investigated for use in biomedical applications. Successful studies showed the strength of the antibacterial effects of NO loaded STAM-1, by using three different bacterial strains as a test of performance and were found to be bactericidal. Furthermore the antibacterial effects of NO free STAM-1 were also probed and found to be bactericidal even with low concentrations of the material such as 5 wt%. STAM-1 showed some complex magnetic behaviour by displaying strong antiferromagnetic properties at room temperature and ferromagnetic properties at lower temperatures. The antiferromagnetic coupling was observed within the dimer and ferromagnetic coupling between the dimers. This property of ferromagnetism can only be attributed to the corporation of magnetic dimers in the framework. STAM-2 displays a different magnetic behaviour than STAM-1 which shows paramagnetic properties at room temperature and antiferromagnetic properties at lower temperatures. Other novel MOFs were also successfully characterised and their properties were investigated for potential applications. Advisors/Committee Members: Morris, Russell Edward (advisor).

Subjects/Keywords: MOFs; Switchable channels

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APA (6^th Edition):

Haja Mohideen, M. I. (2011). Novel metal organic frameworks : synthesis, characterisation and functions . (Thesis). University of St. Andrews. Retrieved from http://hdl.handle.net/10023/1892

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Haja Mohideen, Mohamed Infas. “Novel metal organic frameworks : synthesis, characterisation and functions .” 2011. Thesis, University of St. Andrews. Accessed January 19, 2021. http://hdl.handle.net/10023/1892.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Haja Mohideen, Mohamed Infas. “Novel metal organic frameworks : synthesis, characterisation and functions .” 2011. Web. 19 Jan 2021.

Vancouver:

Haja Mohideen MI. Novel metal organic frameworks : synthesis, characterisation and functions . [Internet] [Thesis]. University of St. Andrews; 2011. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/10023/1892.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Haja Mohideen MI. Novel metal organic frameworks : synthesis, characterisation and functions . [Thesis]. University of St. Andrews; 2011. Available from: http://hdl.handle.net/10023/1892

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Texas A&M University

2. Wang, Kecheng. Synthesis of Porphyrinic Metal Organic Frameworks with High Robustness and Catalytic Activity.

Degree: PhD, Chemistry, 2017, Texas A&M University

URL: http://hdl.handle.net/1969.1/166070

► MOFs are ideal platforms to immobilize porphyrins and their derivatives. MOF’s high surface areas and rigid structures not only make porphyrin moieties approachable substrates but… (more)

▼ MOFs are ideal platforms to immobilize porphyrins and their derivatives. MOF’s high surface areas and rigid structures not only make porphyrin moieties approachable substrates but also prevent the dimerization of their active centers. These advantages effectively enhance the reactivity and optical performance of porphyrins. Extensive study has been done to synthesize porphyrinic MOFs, however, many of the previously reported porphyrinic MOFs suffer from weak chemical stabilities, which severely hinders their wide utilization. My study is focused on the design and syntheses of porphyrinic MOFs with high robustness in various chemical environments. Three porphyrinic MOFs with excellent chemical stability, namely PCN-600, PCN-601 and PCN-602, were obtained, and their performances as catalysts in different reactions were explored. PCN-600, a Fe-based mesoporous porphyrinic MOF was successfully synthesized through rational topological design and KTDA method. It exhibits high chemical stability in aqueous solutions with pH values ranging from 2 to 11. The catalytic activity of PCN-600(Fe) (with Fe³⁺ at the porphyrin center) was confirmed by its excellent performance in the co-oxidation of phenol and 4-aminoantipyrine (4-AAP) by H₂O₂. Most of the reported stable porphyrinic MOFs, including PCN-22Xs (X = 2, 3, 4, 5) and PCN-600, are constructed by high-valent metal ions and carboxylate-based porphyrinic ligands. Though these materials have very high robustness in acidic solutions, they are relatively vulnerable in aqueous solutions containing some coordinating anions, such as OH⁻, F⁻, CO₃²⁻ and PO₄³⁻. To address these problems, two iso-structural porphyrinic MOFs constructed by pyrazolate-terminated ligands were synthesized, namely PCN-601 and PCN-602. These materials exhibit extraordinary stability in the solutions of NaOH, KF, Na₂CO₃ and K₃PO₄. Their chemical stabilities were rationalized from both thermodynamic and kinetic perspectives. The catalytic performance of PCN-601(Mn) and PCN-602(Mn) (with Mn³⁺ at the coordination centers of the porphyrinic ligands) in C-H halogenation reactions was explored. Compared with PCN-601(Mn), PCN-602(Mn) has a higher porosity and displays a better activity as a recyclable hetergeneous catalyst. Advisors/Committee Members: Zhou, Hongcai (advisor), Dunbar, Kim (committee member), Lindahl, Paul (committee member), Jeong, Hae-Kwon (committee member).

Subjects/Keywords: MOFs; Porphyrin; Stability; Catalysts

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APA (6^th Edition):

Wang, K. (2017). Synthesis of Porphyrinic Metal Organic Frameworks with High Robustness and Catalytic Activity. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/166070

Chicago Manual of Style (16^th Edition):

Wang, Kecheng. “Synthesis of Porphyrinic Metal Organic Frameworks with High Robustness and Catalytic Activity.” 2017. Doctoral Dissertation, Texas A&M University. Accessed January 19, 2021. http://hdl.handle.net/1969.1/166070.

MLA Handbook (7^th Edition):

Wang, Kecheng. “Synthesis of Porphyrinic Metal Organic Frameworks with High Robustness and Catalytic Activity.” 2017. Web. 19 Jan 2021.

Vancouver:

Wang K. Synthesis of Porphyrinic Metal Organic Frameworks with High Robustness and Catalytic Activity. [Internet] [Doctoral dissertation]. Texas A&M University; 2017. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/1969.1/166070.

Council of Science Editors:

Wang K. Synthesis of Porphyrinic Metal Organic Frameworks with High Robustness and Catalytic Activity. [Doctoral Dissertation]. Texas A&M University; 2017. Available from: http://hdl.handle.net/1969.1/166070

3. SENSHARMA, DEBOBROTO. Flexibility in Coordination Polymers: Structure, Topology, Porosity, and Addressability.

Degree: School of Chemistry. Discipline of Chemistry, 2019, Trinity College Dublin

URL: http://hdl.handle.net/2262/86066

► Metal-Organic Frameworks (MOFs) are a research area approaching maturity and the industrial application of MOFs to a number of pressing challenges is imminent. These materials… (more)

▼ Metal-Organic Frameworks (MOFs) are a research area approaching maturity and the industrial application of MOFs to a number of pressing challenges is imminent. These materials are exciting for their porosity and chemical tunability, as well as the applicability of rational principles in their design. MOFs are applied in fields as diverse as gas storage and separation, drug delivery, catalysis, and sensing. The design of MOFs is guided by a few powerful general principles that form the basis of the approach known as reticular chemistry. The reticular approach emphasises symmetric structures obtained by the use of rigid organic components. In this thesis, a variety of non-rigid behaviours are examined, such as the accommodation of torsional strain in one- and two-dimensional coordination polymer motifs, the diversity of conformations accessible to ligands due to free rotations in alkyl-chain backbones or ethynyl spacers, rotational flexibility about metal-ligand bonds in assembled MOFs, and conformational variability about p-phenylene spacers in extended ligands. In the absence of perfectly rigid organic linkers, or in frameworks that allow a degree of internal motion, new and unusual topologies are obtained due to lower-symmetry conformations. These effects are combined with chemical functionality resulting in MOFs that respond to stimuli, such as light or moisture, with changes in structure that reversibly affect porosity. In chapter 1, chemical and historical contexts for the strategies adopted and results presented in this work are described. A brief history and description of the concepts used is provided, followed by a survey of the current literature in the field and the progress made in the various applied branches of MOF chemistry. The aims of the thesis are delineated. In chapter 2 mixed-ligand one- and two-dimensional coordination polymers based on various M2+ metal ions are described. Both ligands used are tripodal. The accommodation of varying M2+ ion radii takes place in 1-4 due to the ability of the ligands used to adopt increasingly strained conformations. This effect permits the recurrent formation of the same one-dimensional coordination polymer motif, and the same packing arrangement in two dimensions. However, supramolecular packing in the third dimension, mediated by aromatic interactions between distorted ligands, varies as a result of increasing ionic radius. The chelating ligand used in 1-4 is replaced with an isomeric capping ligand, and a two-dimensional sheet motif is obtained. This mixed ligand strategy is applied to ditopic N-donor ligands used in combination with ditopic organic and inorganic charged moieties in Chapter 3. Functionalised ligands are used as pillars in 3D structures which contain accessible 1D channels in 6 and 7. Prolonged and delicate crystallisations allowed the isolation of compounds based on N-donor ligands with highly flexible alkyl-chain backbones ? 8 and 9, which were both found to be two-dimensional, rather than the three-dimensional structures shown by homologues.… Advisors/Committee Members: SCHMITT, WOLFGANG.

Subjects/Keywords: MOFs; Coordination Polymers; Topology; Porosity

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APA (6^th Edition):

SENSHARMA, D. (2019). Flexibility in Coordination Polymers: Structure, Topology, Porosity, and Addressability. (Thesis). Trinity College Dublin. Retrieved from http://hdl.handle.net/2262/86066

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

SENSHARMA, DEBOBROTO. “Flexibility in Coordination Polymers: Structure, Topology, Porosity, and Addressability.” 2019. Thesis, Trinity College Dublin. Accessed January 19, 2021. http://hdl.handle.net/2262/86066.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

SENSHARMA, DEBOBROTO. “Flexibility in Coordination Polymers: Structure, Topology, Porosity, and Addressability.” 2019. Web. 19 Jan 2021.

Vancouver:

SENSHARMA D. Flexibility in Coordination Polymers: Structure, Topology, Porosity, and Addressability. [Internet] [Thesis]. Trinity College Dublin; 2019. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/2262/86066.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

SENSHARMA D. Flexibility in Coordination Polymers: Structure, Topology, Porosity, and Addressability. [Thesis]. Trinity College Dublin; 2019. Available from: http://hdl.handle.net/2262/86066

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Universitat Politècnica de València

4. Santiago Portillo, Andrea. Síntesis de materiales reticulares metal-orgánicos para su aplicación como catalizadores heterogéneos con interés industrial y medioambiental.

Degree: 2019, Universitat Politècnica de València

URL: http://hdl.handle.net/10251/114829

► En la presente tesis doctoral se ha estudiado la aplicación de los MOFs de las fa-milias MIL-101 y UiO-66 como catalizadores heterogéneos y su facilidad… (more)

▼ En la presente tesis doctoral se ha estudiado la aplicación de los MOFs de las fa-milias MIL-101 y UiO-66 como catalizadores heterogéneos y su facilidad para ser modificados tanto sintéticamente como post-sintéticamente, bien sea intercambiando un porcentaje de metal del nodo, como modificando el ligando introduciendo grupos electrodadores o electroaceptores, demostrando además la posibilidad de combinar ambas estrategias. En particular, la tesis se centra en la aplicación de los MOFs como catalizadores heterogéneos para reacciones de oxidación aeróbica, como la oxidación de compuestos bencílicos, de dibenzotiofenos, de bencilaminas o de alquenos, y reacciones de catálisis ácido de Lewis como la reacción de Prins, la apertura de epóxidos o la acetalización. A la vista de los resultados obtenidos se ha demostrado que los MOFs son catali-zadores y promotores de reacciones de oxidación aeróbica que trascurren a través de especies reactivas de oxígeno como fundamentalmente hidroperóxido e hidroxilo sin sufrir degradación o descomposición. También, se ha demostrado, que estos materiales en las condiciones de reacción empleadas no sufren desactivación con los reusos, ya que no se produce prácticamente lixiviado de metal a la fase líquida durante las reac-ciones y además mantienen la cristalinidad después de varios cíclos catalíticos. Además, se ha observado que la presencia de sustituyentes fuertemente aceptores de electrones aumentan la actividad catalítica de estos materiales para reacciones que implican los átomos metálicos, bien sea ácido-base o reacciones de oxidación aeróbica.; En la present tesis doctoral se ha estudiat l'aplicació dels MOFs de les famílies MIL-101 y UiO-66 com a catalitzadors heterogenis y la seua facilitat per a ser modifi-cats tant sintèticament como post-sintèticament, be siga intercanviant un percentatge de metall del node, como modificant el lligand introduint grups electrodadors o elec-troaceptors, demostrant a més la possibilitat de combinar ambdues estratègies. En particular, la tesis es centra en la aplicació dels MOFs como a catalitzadors heterogenis per a reaccions d'oxidació aeròbica, como l'oxidació de compostos bencí-lics, de dibenzotiofens, de bencilamines o d'alquens, y reaccions de catàlisis d'àcid de Lewis com la reacció de Prins, la apertura de epòxids o la acetalització. En vista dels resultats obtinguts s'ha demostrat que els MOFs son catalitzadors y promotors de reaccions d'oxidació aeròbica que tenen lloc a través d'espècies reactives d'oxigen com fonamentalment hidroperòxid e hidroxil sense sofrir degradació o des-composició. També, s'ha demostrat, que estos materials en les condicions de reacció empleades no experimenten desactivació amb els reusos, ja que no es produeix pràcti-cament lixiviat de metall a la fase líquida durant les reaccions i a més, mantenen la cristalinitat després de diversos cicles catalítics. A més, s'ha observat que la presència de substituents fortament acceptors d'electrons augmenten l'activitat catalítica d'estos materials per a reaccions que… Advisors/Committee Members: Alvaro Rodríguez, Maria Mercedes (advisor), Navalón Oltra, Sergio (advisor).

Subjects/Keywords: Catálisis; heterogénea; MOFs; oxidación; aeróbica

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Santiago Portillo, A. (2019). Síntesis de materiales reticulares metal-orgánicos para su aplicación como catalizadores heterogéneos con interés industrial y medioambiental. (Doctoral Dissertation). Universitat Politècnica de València. Retrieved from http://hdl.handle.net/10251/114829

Chicago Manual of Style (16^th Edition):

Santiago Portillo, Andrea. “Síntesis de materiales reticulares metal-orgánicos para su aplicación como catalizadores heterogéneos con interés industrial y medioambiental. ” 2019. Doctoral Dissertation, Universitat Politècnica de València. Accessed January 19, 2021. http://hdl.handle.net/10251/114829.

MLA Handbook (7^th Edition):

Santiago Portillo, Andrea. “Síntesis de materiales reticulares metal-orgánicos para su aplicación como catalizadores heterogéneos con interés industrial y medioambiental. ” 2019. Web. 19 Jan 2021.

Vancouver:

Santiago Portillo A. Síntesis de materiales reticulares metal-orgánicos para su aplicación como catalizadores heterogéneos con interés industrial y medioambiental. [Internet] [Doctoral dissertation]. Universitat Politècnica de València; 2019. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/10251/114829.

Council of Science Editors:

Santiago Portillo A. Síntesis de materiales reticulares metal-orgánicos para su aplicación como catalizadores heterogéneos con interés industrial y medioambiental. [Doctoral Dissertation]. Universitat Politècnica de València; 2019. Available from: http://hdl.handle.net/10251/114829

University of Edinburgh

5. Hu, Xiayi. Development of a semi-automated ZLC system for rapid screening of adsorbents for carbon capture.

Degree: PhD, 2012, University of Edinburgh

URL: http://hdl.handle.net/1842/6259

► In this dissertation a novel ZLC setup has been developed as part of a DOE-funded grant in collaboration with UOP, to provide rapid screening of… (more)

▼ In this dissertation a novel ZLC setup has been developed as part of a DOE-funded grant in collaboration with UOP, to provide rapid screening of novel adsorbent materials for carbon capture (CC). The key features of the new apparatus that was developed are: the use of 5-15 mg of sample and a dual detector system – a thermal conductivity detector (TCD) for single component measurements and a mass spectrometer for studying the influence of water and other impurities. Improvements over previous ZLC apparatuses include: 1. Extension to lower flowrates, i.e. < 3 cc/min, thereby reducing consumption of gases and allowing to run the system under equilibrium control conditions; 2. A new gas dosing system that allows the use of vapours without a chilled bath and bubbler system; 3. A new switching valve system, which prevents leakages; 4. Automated series of experiments, which are implemented using Labview. The new ZLC technique was first applied to provide rapid screening capacity ranking of more than 15 MOF materials from the open literature and three typical zeolites for carbon capture. At the point of interest for flue gas application (38°C, 0.1 bar CO2 partial pressure), Mg/DOBDC was found to outperform significantly all other MOFs and benchmark zeolites at the point of interest in low pressure physisorption of CO2. The ZLC was also used to investigate steaming on Ni/DOBDC as well as see the effect of forming powders into pellets. The new ZLC system also enables one to measure micropore and macropore diffusivity. Experiments were carried out on both powders and pellets of typical MOFs and zeolites. For Co/DOBDC crystals, since the system is close to equilibrium control even at the highest flow rate, a low limit of diffusivity can be estimated. For all the formed samples of Ni/DOBDC and 13X pellets, the results indicate that mass transfer is controlled by macropore diffusion. The ZLC technique can also estimate realistic void fraction and tortuosity values for the pellets. The new ZLC technique was applied to study the stability on the MOF M/DOBDC series. The preliminary water tests showed that all M/DOBDC samples are highly hydrophilic. Therefore in a process design using these MOFs, we conclude that there is a needs to use a guard bed layer to adsorb water or use a gas drying unit before the CO2 capture section of the plant. The ZLC system appears to be extremely useful to accelerate the deactivation of samples due to SOX and NOX impurities. The key advantages are based on the fact that the treatment can be repeated in situ, in a relatively simple way using a very small sample. The results show that in the presence of impurities and water the candidate MOFs undergo significant deactivation. The Ni based material shows the best resistance to degradation. This result indicates further that there would be a need for a drying unit prior to the carbon capture adsorption process.

Subjects/Keywords: 628; ZLC; MOFs; carbon capture

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Hu, X. (2012). Development of a semi-automated ZLC system for rapid screening of adsorbents for carbon capture. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/6259

Chicago Manual of Style (16^th Edition):

Hu, Xiayi. “Development of a semi-automated ZLC system for rapid screening of adsorbents for carbon capture.” 2012. Doctoral Dissertation, University of Edinburgh. Accessed January 19, 2021. http://hdl.handle.net/1842/6259.

MLA Handbook (7^th Edition):

Hu, Xiayi. “Development of a semi-automated ZLC system for rapid screening of adsorbents for carbon capture.” 2012. Web. 19 Jan 2021.

Vancouver:

Hu X. Development of a semi-automated ZLC system for rapid screening of adsorbents for carbon capture. [Internet] [Doctoral dissertation]. University of Edinburgh; 2012. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/1842/6259.

Council of Science Editors:

Hu X. Development of a semi-automated ZLC system for rapid screening of adsorbents for carbon capture. [Doctoral Dissertation]. University of Edinburgh; 2012. Available from: http://hdl.handle.net/1842/6259

Universitat de Valencia

6. Calvo Galve, Néstor. Interplay between spin transition and gas sorption in compartmentalized coordination polymers .

Degree: 2019, Universitat de Valencia

URL: http://hdl.handle.net/10550/69809

► El trabajo descrito en esta tesis se enmarca dentro de los polímeros de coordinación compartimentalizados. Los polímeros de coordinación son materiales híbridos orgánicos-inorgánicos formados por… (more)

▼ El trabajo descrito en esta tesis se enmarca dentro de los polímeros de coordinación compartimentalizados. Los polímeros de coordinación son materiales híbridos orgánicos-inorgánicos formados por un metal rodeado por unos ligandos orgánicos unidos mediante enlace de coordinación y se pueden obtener estructuras que se extienden en una, dos o tres direcciones del espacio. Las infinitas posibilidades que existen debido a la gran variedad de metales disponibles y especialmente, a la posibilidad de sintetizar múltiples ligandos orgánicos permite diseñar químicamente materiales con propiedades “a la carta”, además de la posibilidad de presentar multifuncionalidad, esto es, la combinación de diversas propiedades haciendo el material mucho más interesante. Cuando un polímero de coordinación presenta la característica de porosidad, esto es, presenta canales internos capaces de alojar huéspedes, ya sean disolventes, gases u otras moléculas, al polímero de coordinación se le llama Metal-Organic Framework (MOF), redes metal-orgánicas. Dentro de estas múltiples propiedades tenemos la estabilidad química, muchas veces necesaria para poder preparar un material útil ya que estará expuesto al ataque de diversos agentes químicos que pueden desgastarlo e inutilizar sus interesantes propiedades. Los MOFs además presentan altas áreas superficiales, haciéndolos candidatos perfectos para su uso en catálisis. La posibilidad de utilizarlos como células de combustible también se ha explorado, con la medida de sus propiedades conductoras. Pero la característica estrella de los MOFs como ya se ha comentado es la que les da su particular designación como sub-clase de polímero de coordinación y esta es la presencia de porosidad. La posibilidad de alojar huéspedes en el interior de estos compuestos (y lo que puede conllevar en la modificación de otra de sus propiedades) ha hecho a estos materiales ser uno de los campos en auge desde hace 20 años. En 1998 se reportó el primer ejemplo de adsorción de gases en uno de estos materiales, midiendo la adsorción de dióxido de carbono y de nitrógeno en el llamado MOF-5. En los siguientes años, el intenso estudio en el campo de los MOFs permitió ir aumentando cada vez más la capacidad de almacenar cada vez más cantidad de gases. Pero con el tiempo, la simple idea de almacenar cada vez más cantidad de gas dio paso a otra idea muy interesante, derivada de las necesidades medioambientales del planeta: la separación de gases. Se comenzó a estudiar otro tipo de MOFs, los llamados MOFs de ultramicroporo, donde en lugar de buscar una apertura de poro mayor para poder almacenar más cantidad de gas, se busca un poro más pequeño capaz de discriminar entre diferentes gases que compongan una mezcla. La producción de residuos en la industria petroquímica y electrónica lleva al desarrollo de nuevos materiales capaz de eliminar las impurezas originadas en la producción de sus materiales y los MOFs son candidatos perfectos para llevar a cabo esta tarea. Por ejemplo, la producción de acetileno puro es un problema… Advisors/Committee Members: Coronado Miralles, Eugenio (advisor).

Subjects/Keywords: mofs; coordination polymers; crystal growing

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Calvo Galve, N. (2019). Interplay between spin transition and gas sorption in compartmentalized coordination polymers . (Doctoral Dissertation). Universitat de Valencia. Retrieved from http://hdl.handle.net/10550/69809

Chicago Manual of Style (16^th Edition):

Calvo Galve, Néstor. “Interplay between spin transition and gas sorption in compartmentalized coordination polymers .” 2019. Doctoral Dissertation, Universitat de Valencia. Accessed January 19, 2021. http://hdl.handle.net/10550/69809.

MLA Handbook (7^th Edition):

Calvo Galve, Néstor. “Interplay between spin transition and gas sorption in compartmentalized coordination polymers .” 2019. Web. 19 Jan 2021.

Vancouver:

Calvo Galve N. Interplay between spin transition and gas sorption in compartmentalized coordination polymers . [Internet] [Doctoral dissertation]. Universitat de Valencia; 2019. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/10550/69809.

Council of Science Editors:

Calvo Galve N. Interplay between spin transition and gas sorption in compartmentalized coordination polymers . [Doctoral Dissertation]. Universitat de Valencia; 2019. Available from: http://hdl.handle.net/10550/69809

King Abdullah University of Science and Technology

7. Samin, Umer. An Investigation into the Effect of Cation-exchange on the Adsorption Performance of Indium-based Sodalite-ZMOF.

Degree: 2016, King Abdullah University of Science and Technology

URL: http://hdl.handle.net/10754/607269

► There is a pressing need for advanced solid-state materials that can be implemented in industrial gas separation processes to achieve separations with a significantly reduced… (more)

Subjects/Keywords: ZMOFs; MOFs; Zeolites; Gas Separation

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APA (6^th Edition):

Samin, U. (2016). An Investigation into the Effect of Cation-exchange on the Adsorption Performance of Indium-based Sodalite-ZMOF. (Thesis). King Abdullah University of Science and Technology. Retrieved from http://hdl.handle.net/10754/607269

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Samin, Umer. “An Investigation into the Effect of Cation-exchange on the Adsorption Performance of Indium-based Sodalite-ZMOF.” 2016. Thesis, King Abdullah University of Science and Technology. Accessed January 19, 2021. http://hdl.handle.net/10754/607269.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Samin, Umer. “An Investigation into the Effect of Cation-exchange on the Adsorption Performance of Indium-based Sodalite-ZMOF.” 2016. Web. 19 Jan 2021.

Vancouver:

Samin U. An Investigation into the Effect of Cation-exchange on the Adsorption Performance of Indium-based Sodalite-ZMOF. [Internet] [Thesis]. King Abdullah University of Science and Technology; 2016. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/10754/607269.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Samin U. An Investigation into the Effect of Cation-exchange on the Adsorption Performance of Indium-based Sodalite-ZMOF. [Thesis]. King Abdullah University of Science and Technology; 2016. Available from: http://hdl.handle.net/10754/607269

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Boston College

8. Bensalah, Adam Tariq. Platform Development for Characterization of Iron Catalysts Encapsulated in Metal-Organic Framework UiO-66.

Degree: MS, Chemistry, 2020, Boston College

URL: http://dlib.bc.edu/islandora/object/bc-ir:108762

► Host-guest chemistry provides a unique platform for catalysis by combining the specificity of homogeneous catalysts with the stability and recyclability of heterogeneous catalysts. Metal-Organic Frameworks… (more)

Subjects/Keywords: Host guest catalysis; MOFs

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APA (6^th Edition):

Bensalah, A. T. (2020). Platform Development for Characterization of Iron Catalysts Encapsulated in Metal-Organic Framework UiO-66. (Masters Thesis). Boston College. Retrieved from http://dlib.bc.edu/islandora/object/bc-ir:108762

Chicago Manual of Style (16^th Edition):

Bensalah, Adam Tariq. “Platform Development for Characterization of Iron Catalysts Encapsulated in Metal-Organic Framework UiO-66.” 2020. Masters Thesis, Boston College. Accessed January 19, 2021. http://dlib.bc.edu/islandora/object/bc-ir:108762.

MLA Handbook (7^th Edition):

Bensalah, Adam Tariq. “Platform Development for Characterization of Iron Catalysts Encapsulated in Metal-Organic Framework UiO-66.” 2020. Web. 19 Jan 2021.

Vancouver:

Bensalah AT. Platform Development for Characterization of Iron Catalysts Encapsulated in Metal-Organic Framework UiO-66. [Internet] [Masters thesis]. Boston College; 2020. [cited 2021 Jan 19]. Available from: http://dlib.bc.edu/islandora/object/bc-ir:108762.

Council of Science Editors:

Bensalah AT. Platform Development for Characterization of Iron Catalysts Encapsulated in Metal-Organic Framework UiO-66. [Masters Thesis]. Boston College; 2020. Available from: http://dlib.bc.edu/islandora/object/bc-ir:108762

University of New South Wales

9. Nadeem, Muhammad Arif. Metal-organic frameworks: functional materials by form and design.

Degree: Chemistry, 2011, University of New South Wales

URL: http://handle.unsw.edu.au/1959.4/51326 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10007/SOURCE02?view=true

► A range of metal-organic framework (MOF) materials, consisting of extended structures of coordination polymers incorporating paramagnetic metal ions (MnII,III,FeII, CoII,III, NiII and CuII) ,have been… (more)

▼ A range of metal-organic framework (MOF) materials, consisting of extended structures of coordination polymers incorporating paramagnetic metal ions (MnII,III,FeII, CoII,III, NiII and CuII) ,have been synthesized using bridging ligands such as carboxylate-decorated and/or nitrogen containing aromatics. The in situ. ligandtransformation of 1,2,3-benzene tricarboxylic acid into isophthalate to form four isomorphous coordination polymers was found to be highly dependent upon thereaction temperature, only occuring at higher temperatures such as 220°C. The structural and magnetic properties of all of the compounds have been studied indetail, with many showing bulk magnetic ordering and magnetic phase transitions. In [Co(bIM)(acetate)]n, benzimidazole complexation led to antiferromagneticsuperexchange interactions between the cobalt(II) ions, however at very low temperatures the magnetic behaviour changed from antiferromagnetic to weakferromagnetic ordering as a result of spin canting. Similarly, another 3D MOF [NiII2(pda)(OH)2(H2O)]n based on linear 1D NiII chains connected via Ni4O4-cubanes, has been synthesized, offering a rare example of a magnetic material in which the magnetic phase transitions (MPTs) are potentially coupled to slowrelaxation phenomena. This particular material showed an antiferromagnetic ordering at 21 K, with a magnetic phase transition from AF to CAF at 2.8 K. Wewere also able to design a topology in which the bulk magnetic ordering to higher temperatures were found to be shifted to considerably higher temperatures. Forexample, two 3D isostructural MOFs based on μ3-O centered metal clusters {[MIII3(pydc)3(μ3-O)]n.Cl, M = Mn, Co}, have been synthesized, displaying bulkmagnetic ordering at around 45 K; whilst only the cobalt based MOF displayed any spin canting behavior, and then only below 10 K. Other aspects of this thesisinvolved the introduction of flexible ligand systems such as 1,4-phenylene diacetic acid (pda) and di-(4-pyridyl)-ethane (dpe) in the synthesis of MOFs. Fournovel isostructural MOFs {[M(pda)(dpe)]n, where M = MnII, CoII, NiII and CuII} were synthesised using pda and dpe, and were found to show bulk magneticordering. We also have reported a microporous framework, [Cu3(ipO)2(pyz)2]n, which exhibits a remarkable preferential adsorption for H2 over N2, having a ratioof H2 selectivity in excess of 5 at sub-ambient pressures.

Subjects/Keywords: Gas storage; MOFs; Magnetism

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APA (6^th Edition):

Nadeem, M. A. (2011). Metal-organic frameworks: functional materials by form and design. (Doctoral Dissertation). University of New South Wales. Retrieved from http://handle.unsw.edu.au/1959.4/51326 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10007/SOURCE02?view=true

Chicago Manual of Style (16^th Edition):

Nadeem, Muhammad Arif. “Metal-organic frameworks: functional materials by form and design.” 2011. Doctoral Dissertation, University of New South Wales. Accessed January 19, 2021. http://handle.unsw.edu.au/1959.4/51326 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10007/SOURCE02?view=true.

MLA Handbook (7^th Edition):

Nadeem, Muhammad Arif. “Metal-organic frameworks: functional materials by form and design.” 2011. Web. 19 Jan 2021.

Vancouver:

Nadeem MA. Metal-organic frameworks: functional materials by form and design. [Internet] [Doctoral dissertation]. University of New South Wales; 2011. [cited 2021 Jan 19]. Available from: http://handle.unsw.edu.au/1959.4/51326 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10007/SOURCE02?view=true.

Council of Science Editors:

Nadeem MA. Metal-organic frameworks: functional materials by form and design. [Doctoral Dissertation]. University of New South Wales; 2011. Available from: http://handle.unsw.edu.au/1959.4/51326 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:10007/SOURCE02?view=true

10. Permyakova, Anastasia. Matériaux à base de solides hybrides poreux de type MOFs pour le stockage intersaisonnier d’énergie solaire : Metal Organic Frameworks based materials for long term solar energy storage application.

Degree: Docteur es, Chimie, 2016, Université Paris-Saclay (ComUE); Université de Mons

URL: http://www.theses.fr/2016SACLV031

►

L’évolution rapide des technologies de stockage d’énergie requiert la mise en point de nouveaux matériaux plus performants afin d’utiliser l’énergie relative à l’adsorption d’un fluide… (more)

▼

L’évolution rapide des technologies de stockage d’énergie requiert la mise en point de nouveaux matériaux plus performants afin d’utiliser l’énergie relative à l’adsorption d’un fluide (eau) pour restituer l’énergie solaire préalablement stockée sur une période courte (heures) ou prolongée (inter saisonnière). Ces matériaux sont des sels inorganiques (chimisorption de l’eau), des adsorbants physiques ou des composites (sel inorganique dans une matrice poreuse).Les polymères de coordination poreux (PCPs) ou ’Metal-Organic Frameworks‘ (MOFs) sont des solides poreux hybrides dont la structure cristalline résulte de l’association de ligands organiques polycomplexants et de briques inorganiques interagissant par liaisons fortes. Les MOFs présentent une plus grande diversité chimique et structurale par rapport aux solides poreux inorganiques, ce qui permet de varier ‘à la carte’ leur caractère amphiphile, leur volume poreux, la taille et la forme des pores.Dans le cadre de cette thèse, nous avons étudié en premier lieu une série de MOFs poreux et stables dans l’eau, construits à partir des cations métalliques à haut degré d’oxydation (Fe3+, Al3+, Cr3+, Ti4+, Zr4+) et de ligands polycarboxylates. Nous avons choisi cette série de MOFs en tant qu’adsorbants physiques tout en évaluant dans un second temps leur capacité en tant que matrices d’immobilisation de sels inorganiques.L’étude des propriétés d’adsorption d’eau des MOFs seuls a démontré leurs grandes capacités d’adsorption conduisant ainsi à des densités énergétiques relativement élevées pour des systèmes en physisorption pure. La synthèse du MOF le plus performant de cette série (MIL-160(Al)) a été mise à l’échelle. Ce matériau a ensuite été mis en forme et ses propriétés de stockage de chaleur ont été évaluées dans un prototype de laboratoire (réacteur ouvert).Les applications de stockage inter saisonnier requièrent des matériaux avec une densité énergétique plus élevée par rapport à celle des adsorbants physiques et à ce titre, les composites qui résultent de l’encapsulation de sels inorganiques au sein de matrices poreuses sont intéressants en termes de densité énergétique et de stabilité chimique. De ce fait, le deuxième chapitre porte sur l’exploration d’une série de MOFs en tant que matrices d’encapsulation de sels afin de préparer des composites pour le stockage de l’énergie.Les MOFs sélectionnés permettent d’étudier l’influence de certains paramètres de la matrice (balance amphiphile, volume/taille des pores) sur les propriétés d’adsorption d’eau des composites. Les capacités de stockage énergétique des composites ont été évaluées dans les conditions d’utilisation d’un système de stockage d’énergie.Finalement la capacité de stockage élevée et la bonne stabilité de cyclage (adsorption-désorption) des deux meilleurs composites à base de matrices mésoporeuses (MIL-100(Fe) et MIL-101(Cr)) confirment l’intérêt de ces solides pour ce type d’application.

Nowadays the forceful development of the energy storage technologies requires the design of novel adsorbents.…

Advisors/Committee Members: Serre, Christian (thesis director), Steunou, Nathalie (thesis director), Frère, Marc (thesis director).

Subjects/Keywords: MOFs; Composites; Stockage de l'énergie; MOFs; Composits; Energy storage; 546.1

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Permyakova, A. (2016). Matériaux à base de solides hybrides poreux de type MOFs pour le stockage intersaisonnier d’énergie solaire : Metal Organic Frameworks based materials for long term solar energy storage application. (Doctoral Dissertation). Université Paris-Saclay (ComUE); Université de Mons. Retrieved from http://www.theses.fr/2016SACLV031

Chicago Manual of Style (16^th Edition):

Permyakova, Anastasia. “Matériaux à base de solides hybrides poreux de type MOFs pour le stockage intersaisonnier d’énergie solaire : Metal Organic Frameworks based materials for long term solar energy storage application.” 2016. Doctoral Dissertation, Université Paris-Saclay (ComUE); Université de Mons. Accessed January 19, 2021. http://www.theses.fr/2016SACLV031.

MLA Handbook (7^th Edition):

Permyakova, Anastasia. “Matériaux à base de solides hybrides poreux de type MOFs pour le stockage intersaisonnier d’énergie solaire : Metal Organic Frameworks based materials for long term solar energy storage application.” 2016. Web. 19 Jan 2021.

Vancouver:

Permyakova A. Matériaux à base de solides hybrides poreux de type MOFs pour le stockage intersaisonnier d’énergie solaire : Metal Organic Frameworks based materials for long term solar energy storage application. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); Université de Mons; 2016. [cited 2021 Jan 19]. Available from: http://www.theses.fr/2016SACLV031.

Council of Science Editors:

Permyakova A. Matériaux à base de solides hybrides poreux de type MOFs pour le stockage intersaisonnier d’énergie solaire : Metal Organic Frameworks based materials for long term solar energy storage application. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); Université de Mons; 2016. Available from: http://www.theses.fr/2016SACLV031

Universitat Politècnica de València

11. Nowacka, Anna Elzbieta. Divalent Metal Organic Frameworks as Heterogeneous Oxidation Catalysts .

Degree: 2019, Universitat Politècnica de València

URL: http://hdl.handle.net/10251/129872

► [ES] Se ha desarrollado un método de síntesis "verde" de compuestos metal orgánicos en medio acuoso, a temperatura y presión ambientes, fácilmente escalable y con… (more)

▼ [ES] Se ha desarrollado un método de síntesis "verde" de compuestos metal orgánicos en medio acuoso, a temperatura y presión ambientes, fácilmente escalable y con tiempos de cristalización muy cortos (10 min). El método se ha aplicado con éxito a la síntesis de trimesatos de metales divalentes isoreticulares y con fórmula general M3(BTC)2·12 H2O (M = Ni2+, Co2+, Cu2+ y Zn2+; BTC = trimesato). La estructura de estos materiales presenta dos tipos de centros metálicos ("puente" y "ter-minales") en proporción 2 a 1, ambos con coordinación octaédrica y unidos a 4 moléculas de H2O y a dos oxígenos carboxilato del ligando. Usando este método de síntesis, se han preparado también series de compuestos bimetálicos isoreticulares de Co-Ni y Co-Zn en todo el rango de concentraciones, así como compues-tos de Mn-Ni con una concentración máxima de Mn2+ del 50%. Mediante la combinación de difracción de rayos X (en polvo y de monocristal) y microscopía EDX/SEM se ha demostrado que los compuestos bimetálicos forman verdaderas disoluciones sólidas (no meras mezclas de fases) y que los iones metálicos se dis-tribuyen homogéneamente en todo el cristal. Además, el análisis detallado de la variación de los parámetros de celda con la composición en compuestos Co-Ni y Co-Zn aporta fuertes evidencias de que los iones Co2+ ocupan preferentemente las posiciones "terminales". Se ha evaluado la actividad de los compuestos preparados como catalizadores para la oxidación aeróbica de cumeno (CM) a cumeno hidroperóxido (CHP). El com-puesto monometálico de Co2+, Co-BTC, presentó una elevada actividad, aunque la selectividad a CHP obtenida fue relativamente baja (69%), ya que los iones Co2+ catalizan también la descomposición del CHP formado. Una buena estrategia para optimizar esta selectividad consistió en aislar los iones Co2+ en una matriz de Ni-BTC (que es inerte tanto para la oxidación de CM como para la descomposición de CHP). Así, al disminuir la concentración de iones Co2+ en compuestos bimetálicos Co-Ni se observó un aumento de la selectividad a CHP de hasta el 91% para el material con un 5% de Co. Se ha calculado que estadísticamente el 73% de los iones Co2+ en este material se encuentran aislados, por lo que la des-composición/sobreoxidación del CHP se ve muy limitada. Usando una variación del método de síntesis, se han obtenido también compuestos isoreticulares de Co2+ en los que los ligandos trimesato se han reemplazado parcialmente por ligandos isoftálico o 5-aminoisoftálico. Al utilizar estos com-puestos como catalizadores para la oxidación aeróbica de CM, se ha observado que la introducción de este segundo ligando (y en particular del 5-aminoisoftálico) en la red metal-orgánica facilita la descomposición del CHP formado y aumenta la selectividad final a 2-fenil-2-propanol (PP). Esto se ha atribuido a la creación de defectos puntuales en la red del material, que presentan una mayor actividad para la descomposición de CHP. Siguiendo con la oxidación de CM como reacción modelo, se ha evaluado la actividad catalítica de compuestos… Advisors/Committee Members: Llabrés i Xamena, Francesc Xavier (advisor).

Subjects/Keywords: MOFs; Heterogeneous catalysis; Cumene oxidation; Quinazoline synthesis; Hierarchical mesoporous MOFs

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Nowacka, A. E. (2019). Divalent Metal Organic Frameworks as Heterogeneous Oxidation Catalysts . (Doctoral Dissertation). Universitat Politècnica de València. Retrieved from http://hdl.handle.net/10251/129872

Chicago Manual of Style (16^th Edition):

Nowacka, Anna Elzbieta. “Divalent Metal Organic Frameworks as Heterogeneous Oxidation Catalysts .” 2019. Doctoral Dissertation, Universitat Politècnica de València. Accessed January 19, 2021. http://hdl.handle.net/10251/129872.

MLA Handbook (7^th Edition):

Nowacka, Anna Elzbieta. “Divalent Metal Organic Frameworks as Heterogeneous Oxidation Catalysts .” 2019. Web. 19 Jan 2021.

Vancouver:

Nowacka AE. Divalent Metal Organic Frameworks as Heterogeneous Oxidation Catalysts . [Internet] [Doctoral dissertation]. Universitat Politècnica de València; 2019. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/10251/129872.

Council of Science Editors:

Nowacka AE. Divalent Metal Organic Frameworks as Heterogeneous Oxidation Catalysts . [Doctoral Dissertation]. Universitat Politècnica de València; 2019. Available from: http://hdl.handle.net/10251/129872

UCLA

12. Volosskiy, Boris. Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons.

Degree: Chemistry, 2017, UCLA

URL: http://www.escholarship.org/uc/item/6qn3z89c

► Metal Organic Frameworks (MOFs) are highly porous, crystalline frameworks composed of an organic linker and a metal oxide cluster. Covalent Triazine Frameworks (CTFs) are a… (more)

▼ Metal Organic Frameworks (MOFs) are highly porous, crystalline frameworks composed of an organic linker and a metal oxide cluster. Covalent Triazine Frameworks (CTFs) are a subclass of MOFs and similarly are highly porous crystalline frameworks, but unlike MOFs, are composed of purely organic building units. Since the initial reports of a successful synthesis and characterization of MOF-5 in 1995, the interest in these frameworks has exploded. The ability to design the MOF properties and functionality by simply selecting the starting precursors make MOFs optimal materials for a multitude of fields. However, even with all of the research being conducted, there are many MOF applications yet to be discovered. In the first part of this thesis we explore the application of MOFs as templates for the synthesis of metallic nanostructures based on the size and the shape of the MOF pores. The limitless number of MOF structures with different pore shapes and sizes allow for the synthesis of nanostructures with any desired shape or size. It is shown that by using MOF-545 with one dimensional pores, well aligned, ultra-thin gold and platinum nanowires are grown. The nanowires inside the MOF pores are confirmed by imaging the focus-ion beam cross-section of the metal loaded MOF-545 using a transmission electron microscope. In the second part of this thesis, the use of MOFs as a precursor to fabricate nitrogen and metal co-doped carbons is discussed. MOF-545 is an excellent precursor for one-pot synthesis of metal and nitrogen co-doped carbon wires. Two different annealing methods are studied, either under pure argon or argon mixed with air impurities, and the resulting carbon wires are tested as an electro-catalyst for oxygen reduction reaction (ORR). Surprisingly, the air treated carbon wires show much higher ORR activity, comparable to that of platinum in basic electrolyte. Finally, the last part of this thesis will discuss controlling the surface area and porosity of carbon frameworks fabricated from CTFs. By using three different precursors, 12 carbon networks are synthesized and analyzed for porosity, surface area and capacitance. By varying the precursor composition and ratio, as well as the temperature, we are able to control the average pore size distribution between 1-17 nm, while the samples treated at 900ï¿½C show the best capacitance of 130 F/g.

Subjects/Keywords: Chemistry; Electrochemistry; Metal-Organic Frameworks; MOFs; Nano

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APA (6^th Edition):

Volosskiy, B. (2017). Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons. (Thesis). UCLA. Retrieved from http://www.escholarship.org/uc/item/6qn3z89c

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Volosskiy, Boris. “Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons.” 2017. Thesis, UCLA. Accessed January 19, 2021. http://www.escholarship.org/uc/item/6qn3z89c.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Volosskiy, Boris. “Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons.” 2017. Web. 19 Jan 2021.

Vancouver:

Volosskiy B. Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons. [Internet] [Thesis]. UCLA; 2017. [cited 2021 Jan 19]. Available from: http://www.escholarship.org/uc/item/6qn3z89c.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Volosskiy B. Metal Organic and Covalent Triazine Frameworks as Templates for the Synthesis of Metallic Nanostructures and Doped Carbons. [Thesis]. UCLA; 2017. Available from: http://www.escholarship.org/uc/item/6qn3z89c

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Adelaide

13. Evans, Jack D. Simulations of Molecular and Extended Porous Materials.

Degree: 2015, University of Adelaide

URL: http://hdl.handle.net/2440/119471

► Porous materials play vital roles in many industries and currently there is intense interest in developing new examples due to their direct application to clean… (more)

Subjects/Keywords: Molecular simulations; Porous materials; MOFs; DFT

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APA (6^th Edition):

Evans, J. D. (2015). Simulations of Molecular and Extended Porous Materials. (Thesis). University of Adelaide. Retrieved from http://hdl.handle.net/2440/119471

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Evans, Jack D. “Simulations of Molecular and Extended Porous Materials.” 2015. Thesis, University of Adelaide. Accessed January 19, 2021. http://hdl.handle.net/2440/119471.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Evans, Jack D. “Simulations of Molecular and Extended Porous Materials.” 2015. Web. 19 Jan 2021.

Vancouver:

Evans JD. Simulations of Molecular and Extended Porous Materials. [Internet] [Thesis]. University of Adelaide; 2015. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/2440/119471.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Evans JD. Simulations of Molecular and Extended Porous Materials. [Thesis]. University of Adelaide; 2015. Available from: http://hdl.handle.net/2440/119471

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Edinburgh

14. Graham, Alexander John. Effect of pressure on metal-organic frameworks (MOFs).

Degree: PhD, 2013, University of Edinburgh

URL: http://hdl.handle.net/1842/8900

► A growing field of research has evolved around the design and synthesis of a variety of porous metal-organic framework (MOF) materials. Some of the most… (more)

▼ A growing field of research has evolved around the design and synthesis of a variety of porous metal-organic framework (MOF) materials. Some of the most promising areas for which these materials are potentially useful candidates include gas-separation, heterogeneous catalysis, and gas-storage, and all of these applications involve placing the MOF under pressure. There is clearly a need to understand the structural response of MOFs to applied pressure. Nevertheless, hitherto there are very few published investigations dedicated to determining the behaviour of porous hybrid materials under pressure. Through the use of high-pressure single-crystal X-ray diffraction studies, a series of MOF materials have been studied. Here we present the effect of pressure on a series of MOFs. In chapter 2, the effect of pressure on the prototypical MOF called MOF-5 was studied experimentally from ambient pressure to 3.2 GPa. Here, application of pressure was driven by the hydrostatic medium being forced into the pores of the MOF, which altered the mechanical properties of MOF-5, in particular, medium inclusion delayed the onset of amorphization. Complementary computational analysis was also performed to elucidate further the effect of medium inclusion on compressive behaviour. Detailed structural data was also collected as a function of pressure on the MOF Cu-btc. Application of pressure caused solvent to be squeezed into the pores (like MOF-5) until a phase transition occurred, driven by the sudden compression and expansion of equatorial and axial Cu–O bonds. High-pressure post-synthetic modification of a MOF is reported for the first time. On application of pressure of 0.2 GPa to the Cu-based MOF called STAM-1, a ligand exchange reaction takes place resulting in a change in pore size, shape, and hydrophilicity of the resulting pores. Here, we also demonstrate the ability to force hydrophilic molecules into hydrophobic pores using pressure, counteracting the hydrophobic effect. A high-pressure combined experimental and computational study has been carried to probe the effect of pressure on ‘breathing’ mechanisms in a zeolitic imidazolate framework (or ZIF) called ZIF-8. The penetration of guest molecules and the accommodation of pressure are shown to be inextricably linked to the rotation of methylimidazolate groups in the structure. Finally, the application of pressure to the MOF Sc₂BDC₃ and the nitro functionalized derivative Sc₂(NO₂-BDC)₃ was also studied. Here, the effect of chemical modification of the organic ligand, whilst maintaining framework topology, has been investigated as it pertains to compressibility. Directionality of compression is observed and this is rationalized with respect to the framework topology and medium inclusion/exclusion.

Subjects/Keywords: 541; High-pressure; Metal-organic frameworks; MOFs

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Graham, A. J. (2013). Effect of pressure on metal-organic frameworks (MOFs). (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/8900

Chicago Manual of Style (16^th Edition):

Graham, Alexander John. “Effect of pressure on metal-organic frameworks (MOFs).” 2013. Doctoral Dissertation, University of Edinburgh. Accessed January 19, 2021. http://hdl.handle.net/1842/8900.

MLA Handbook (7^th Edition):

Graham, Alexander John. “Effect of pressure on metal-organic frameworks (MOFs).” 2013. Web. 19 Jan 2021.

Vancouver:

Graham AJ. Effect of pressure on metal-organic frameworks (MOFs). [Internet] [Doctoral dissertation]. University of Edinburgh; 2013. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/1842/8900.

Council of Science Editors:

Graham AJ. Effect of pressure on metal-organic frameworks (MOFs). [Doctoral Dissertation]. University of Edinburgh; 2013. Available from: http://hdl.handle.net/1842/8900

University of Florida

15. Pandey, Shubham. Evolution of Alloys and Radionuclide Sequestration by First-Principles Calculations.

Degree: PhD, Materials Science and Engineering, 2020, University of Florida

URL: https://ufdc.ufl.edu/UFE0056275

► Thermodynamic stability and kinetics in Cu-Au alloys are elucidated using first-principles calculations. In particular, the Au-rich compositions lying extremely close to the convex-hull are investigated… (more)

Subjects/Keywords: alloys – dft – kinetics – mofs – radionuclide – sequestration – thermodynamics

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Pandey, S. (2020). Evolution of Alloys and Radionuclide Sequestration by First-Principles Calculations. (Doctoral Dissertation). University of Florida. Retrieved from https://ufdc.ufl.edu/UFE0056275

Chicago Manual of Style (16^th Edition):

Pandey, Shubham. “Evolution of Alloys and Radionuclide Sequestration by First-Principles Calculations.” 2020. Doctoral Dissertation, University of Florida. Accessed January 19, 2021. https://ufdc.ufl.edu/UFE0056275.

MLA Handbook (7^th Edition):

Pandey, Shubham. “Evolution of Alloys and Radionuclide Sequestration by First-Principles Calculations.” 2020. Web. 19 Jan 2021.

Vancouver:

Pandey S. Evolution of Alloys and Radionuclide Sequestration by First-Principles Calculations. [Internet] [Doctoral dissertation]. University of Florida; 2020. [cited 2021 Jan 19]. Available from: https://ufdc.ufl.edu/UFE0056275.

Council of Science Editors:

Pandey S. Evolution of Alloys and Radionuclide Sequestration by First-Principles Calculations. [Doctoral Dissertation]. University of Florida; 2020. Available from: https://ufdc.ufl.edu/UFE0056275

Université Montpellier II

16. Khuong Trung, Thuy. Etude des propriétés d'adsorption d'hydrocarbures de composés organométalliques poreux flexibles : Study of hydrocarbon adsorption properties on the flexible porous organometallic compounds.

Degree: Docteur es, Chimie et Physicochimie des matériaux, 2011, Université Montpellier II

URL: http://www.theses.fr/2011MON20021

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Ce travail décrit l'étude de différents paramètres qui influent sur les propriétés d'adsorption de composés poreux organométalliques (MOFs). Nous avons utilisé les techniques de volumétrie… (more)

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Ce travail décrit l'étude de différents paramètres qui influent sur les propriétés d'adsorption de composés poreux organométalliques (MOFs). Nous avons utilisé les techniques de volumétrie et de gravimétrie d'adsorption et les systèmes adsorbables sont la série des alcanes linéaires (du n-pentane au n-nonane). Les solides étudiés sont les MIL-47(V), MIL-53(Cr, Al, Fe), les MIL-53(Fe)-X modifiés et la série MIL-88(Fe)-A, B, C. Parmi les nombreuses conclusions de cette étude, nous pouvons en détailler plusieurs : (i) la flexibilité des MIL-53(Cr, Al, Fe), rendue possible par la présence de µ2-OH coordinés aux centres métalliques, dépend de l'identité des centres métalliques et de celle de l'adsorbable. (ii) la modification chimique, par substitution d'un atome d'hydrogène porté par les noyaux aromatiques des ligands, induit une variation dans le degré de flexibilité des structures et dans la stabilité des différentes phases. (iii) la nature des ligands, dans la série des MIL-88(Fe), en termes de nombre de noyaux aromatiques constituent les ligands, modifie les interactions physiques au sein des réseaux organométalliques ce qui a un effet sur leur stabilité et leur flexibilité.(iv) la facilité de la diffusion des alcanes linéaires, de longueur différente, dans les pores des solides dépend notamment des points développés ci-dessus.

This study describes a study of the adsorptive properties of several flexible porous organometallic frameworks (MOFs) using the volumetric and gravimetric methods and apolar normal alkanes (n-pentane to n-nonane) as adsorbate molecules. The materials studied are MIL-47(V), MIL-53(Cr, Al, Fe), the modified MIL-53(Fe)-X and the MIL-88(Fe)-A, B, C.This allows the study of different parameters on the behaviour of the solids during the adsorption process. Amongst the findings of this study, several can be emphasized :(i) the flexibility of the MIL-53(Cr, Al, Fe), made possible by the presence of µ2-OH coordinated to the metal centres, depends on the identity of the metal centres and that of the adsorbate.(ii) the chemical modification by the substitution of a hydrogen atom on the aromatic ligands of the MIL-53(Fe) induces a change in the degree of flexibility of the framework and the stability of the various phases.(iii) the nature of the ligands in the MIL-88(Fe) series, in terms of the number of the aromatic rings comprising the linker, changes the physical interactions within the framework and thus its stability and flexibility.(iv) the ease of diffusion into the pores of the alkanes of various alkyl chain length depends on the three points mentioned above.

Advisors/Committee Members: Trens, Philippe (thesis director).

Subjects/Keywords: Adsorption; Alcanes; MOFs; Equilibre; Volumétrie d’adsorption; Flexibilité; Adsortion; Alkanes; MOFs; Equilibrium; Adsorption volumetry; Flexibility

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Khuong Trung, T. (2011). Etude des propriétés d'adsorption d'hydrocarbures de composés organométalliques poreux flexibles : Study of hydrocarbon adsorption properties on the flexible porous organometallic compounds. (Doctoral Dissertation). Université Montpellier II. Retrieved from http://www.theses.fr/2011MON20021

Chicago Manual of Style (16^th Edition):

Khuong Trung, Thuy. “Etude des propriétés d'adsorption d'hydrocarbures de composés organométalliques poreux flexibles : Study of hydrocarbon adsorption properties on the flexible porous organometallic compounds.” 2011. Doctoral Dissertation, Université Montpellier II. Accessed January 19, 2021. http://www.theses.fr/2011MON20021.

MLA Handbook (7^th Edition):

Khuong Trung, Thuy. “Etude des propriétés d'adsorption d'hydrocarbures de composés organométalliques poreux flexibles : Study of hydrocarbon adsorption properties on the flexible porous organometallic compounds.” 2011. Web. 19 Jan 2021.

Vancouver:

Khuong Trung T. Etude des propriétés d'adsorption d'hydrocarbures de composés organométalliques poreux flexibles : Study of hydrocarbon adsorption properties on the flexible porous organometallic compounds. [Internet] [Doctoral dissertation]. Université Montpellier II; 2011. [cited 2021 Jan 19]. Available from: http://www.theses.fr/2011MON20021.

Council of Science Editors:

Khuong Trung T. Etude des propriétés d'adsorption d'hydrocarbures de composés organométalliques poreux flexibles : Study of hydrocarbon adsorption properties on the flexible porous organometallic compounds. [Doctoral Dissertation]. Université Montpellier II; 2011. Available from: http://www.theses.fr/2011MON20021

Université de Lorraine

17. Schejn, Aleksandra Maria. Synthesis and catalytic activity of ZIF-8 and doped-ZIF-8 crystals : stability and cytotoxicity evaluation : Synthèse et activité catalytique des cristaux ZIF-8 et ZIF-8 dopés : évaluation de leur stabilité et leur toxicité.

Degree: Docteur es, Génie des procédés et des produits, 2015, Université de Lorraine

URL: http://www.theses.fr/2015LORR0212

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Depuis plusieurs années, les MOFs (Metal Organic Frameworks) suscitent une grande attention pour leurs applications potentielles en catalyse hétérogène. Ces matériaux sont également étudiés dans… (more)

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Depuis plusieurs années, les MOFs (Metal Organic Frameworks) suscitent une grande attention pour leurs applications potentielles en catalyse hétérogène. Ces matériaux sont également étudiés dans les domaines de la séparation, du stockage de gaz, de la libération contrôlée ou comme systèmes de vectorisation de médicaments. Leur structure complexe étant formée par des centres de coordination métalliques unis par des ligands polydentates, les MOFs disposent de nombreux sites acido-basiques de Lewis ou de Brönsted qui sont cruciaux pour l'activité des matériaux et la sélectivité des produits lors des réactions catalysées par les MOFs. Dans ce travail, nous nous sommes tout particulièrement intéressés à une classe de MOFs appelée « zéolithic imidazolate frameworks » (ZIF-8). Les ZIF-8 présentent de nombreuses propriétés intéressantes, notamment une grande surface spécifique, une faible densité, une forte porosité ainsi qu’une excellente stabilité chimique et thermique. Dans une première partie, la préparation de matériaux ZIF-8 et d’hétérostructures à base ZIF-8 a été développée afin de conférer à ces matériaux des propriétés adaptées à l'application souhaitée. La mise en forme de ces catalyseurs a également été étudiée afin d’obtenir la forme optimale pour une utilisation industrielle de ces matériaux. En variant le précurseur d’ions Zn2+ utilisé pour la synthèse, nous avons démontré que les propriétés (taille, porosité, ...) de ZIF-8 cristaux pouvaient être contrôlées en fonction de l’application catalytique recherchée. Ces ZIF-8 cristaux ont été utilisés avec succès en tant que catalyseurs hétérogènes dans les réactions de Knoevenagel et Friedländer. Nous avons développé de nouveaux matériaux ZIF-8 dopés par des ions Cu2+. Les particules Cu/ZIF-8 se sont montrés être des catalyseurs efficaces dans la réaction de Combes et la cycloaddition de Huisgen. La recyclabilité du matériau a été évaluée et il a notamment été montré que les particules ZIF-8 pouvaient être réutilisées jusqu'à dix fois sans perte d'activité catalytique. Nous avons également fonctionnalisé les cristaux ZIF-8 avec des particules magnétiques Fe3O4. L’hétérostructure hybride [email protected] peut facilement être récupérée par séparation magnétique après les expériences de catalyse. Afin d’étendre le champ d’application des catalyseurs ZIF-8, le matériau a également utilisé pour la conversion du dioxyde de carbone en carbonates cycliques en utilisant un réacteur du Parr. Comme la réaction est d’un grand intérêt industriel, le catalyseur a été mis en forme par compression. Dans la dernière partie de ce mémoire, la toxicité des particules ZIF-8 et ZIF-8 dopé par Cu ou Fe a été évaluée en utilisant des cellules alvéolaires A549 et de la peau IHK comme modèles. La stabilité des particules a été déterminée à l’aide de milieux mimant la digestion des particules in vivo. Les résultats obtenus montrent que les particules sont très sensibles aux variations de pH ainsi qu’aux sels présents dans les différents milieux

Metal organic frameworks (MOFs) have gained…

Advisors/Committee Members: Schneider, Raphaël (thesis director), Falk, Véronique (thesis director).

Subjects/Keywords: MOFs; ZIF-8; Synthèse; Stabilité; Cytotoxicité; MOFs; ZIF-8; Synthesis; Stability; Cytotoxicity; 661; 547.05

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Schejn, A. M. (2015). Synthesis and catalytic activity of ZIF-8 and doped-ZIF-8 crystals : stability and cytotoxicity evaluation : Synthèse et activité catalytique des cristaux ZIF-8 et ZIF-8 dopés : évaluation de leur stabilité et leur toxicité. (Doctoral Dissertation). Université de Lorraine. Retrieved from http://www.theses.fr/2015LORR0212

Chicago Manual of Style (16^th Edition):

Schejn, Aleksandra Maria. “Synthesis and catalytic activity of ZIF-8 and doped-ZIF-8 crystals : stability and cytotoxicity evaluation : Synthèse et activité catalytique des cristaux ZIF-8 et ZIF-8 dopés : évaluation de leur stabilité et leur toxicité.” 2015. Doctoral Dissertation, Université de Lorraine. Accessed January 19, 2021. http://www.theses.fr/2015LORR0212.

MLA Handbook (7^th Edition):

Schejn, Aleksandra Maria. “Synthesis and catalytic activity of ZIF-8 and doped-ZIF-8 crystals : stability and cytotoxicity evaluation : Synthèse et activité catalytique des cristaux ZIF-8 et ZIF-8 dopés : évaluation de leur stabilité et leur toxicité.” 2015. Web. 19 Jan 2021.

Vancouver:

Schejn AM. Synthesis and catalytic activity of ZIF-8 and doped-ZIF-8 crystals : stability and cytotoxicity evaluation : Synthèse et activité catalytique des cristaux ZIF-8 et ZIF-8 dopés : évaluation de leur stabilité et leur toxicité. [Internet] [Doctoral dissertation]. Université de Lorraine; 2015. [cited 2021 Jan 19]. Available from: http://www.theses.fr/2015LORR0212.

Council of Science Editors:

Schejn AM. Synthesis and catalytic activity of ZIF-8 and doped-ZIF-8 crystals : stability and cytotoxicity evaluation : Synthèse et activité catalytique des cristaux ZIF-8 et ZIF-8 dopés : évaluation de leur stabilité et leur toxicité. [Doctoral Dissertation]. Université de Lorraine; 2015. Available from: http://www.theses.fr/2015LORR0212

18. Gkaniatsou, Effrosyni. Elaboration of novel enzymatic immobilization matrices, based on Metal-Organic Frameworks for the catalytic degradation of environmental pollutants : Elaboration de nouvelles matrices d’immobilisation enzymatique à base de Metal-Organic Frameworks pour la dégradation catalytique de polluants environnementaux.

Degree: Docteur es, Chimie, 2019, Université Paris-Saclay (ComUE)

URL: http://www.theses.fr/2019SACLV005

► Les enzymes sont des biocatalyseurs de plus en plus utilisés pour la transformation de molécules organiques (chimie fine, bioconversions, dépollution, chimie du pétrole) car elles… (more)

▼ Les enzymes sont des biocatalyseurs de plus en plus utilisés pour la transformation de molécules organiques (chimie fine, bioconversions, dépollution, chimie du pétrole) car elles possèdent de très bonnes sélectivité et réactivité, générant rapidement de larges quantités de produit. Cependant, la fragilité des enzymes, notamment en solution, limite souvent leur utilisation. Il est donc crucial de les immobiliser et de les stabiliser dans des supports adaptés. Une grande variété de matrices d’immobilisation (organiques ou inorganiques) a déjà étudiée, mais aucune ne satisfait pleinement aux critères nécessaires pour le développement de bio-réacteurs (accessibilité au site actif de l’enzyme, relargage de l’enzyme, diffusion des réactifs, recyclabilité, stabilité..). En outre, la majorité de ces matrices présente une porosité désordonnée, inadaptée pour une immobilisation homogène. L’utilisation de matériaux hybrides, cristallins et poreux de type Metal-Organic Frameworks (MOFs) a été récemment proposée comme alternative avec des applications en biocatalyse et en biodétection.Le travail de cette thèse a consisté à associer des matériaux de type Metal-Organic Frameworks à une mini-enzyme, la microperoxidase 8 (MP8), afin d’obtenir des matériaux multifonctionnels. Dans une première partie, le MOF mésoporeux, MIL-101(Cr), a été utilisé pour encapsuler la MP8, ce qui a conduit à une amélioration de son activité catalytique dans des conditions qui ne sont pas adéquates pour l’activité enzymatique (conditions acides, forte concentration en H2O2), démontrant ainsi le rôle protecteur du MOF vis-à-vis de l’enzyme. De plus, il a été possible de recycler le biocatalyseur. Cette approche a également permis d’améliorer considérablement la sélectivité de la MP8 pour la dégradation d’un colorant organique toxique négativement chargé, le méthyl orange, grâce à son adsorption sélective par interaction électrostatique avec les particules de MIL-101(Cr). La seconde partie a été consacrée à l’utilisation de matériaux MIL-101(Cr) fonctionnalisés. Tout d’abord, l’influence de la fonctionnalisation du ligand (avec un groupement –NH2 ou –SO3H) sur l’encapsulation de la MP8 ainsi que sur son activité catalytique pour des réactions de sulfoxydation a été étudiée. Il a été montré que l’activité catalytique et la réactivité de la MP8 sont affectées par le microenvironnement spécifique des pores du MOF, notamment pour des réactions de sulfoxydation mettant en jeu des dérivés thioanisole. Ensuite, un MOF à métal mixte (MIL-101(Cr/Fe)) choisi pour ses propriétés catalytiques stables, a été synthétisé et caractérisé. Enfin, la dernière partie de cette thèse a été consacrée à la synthèse in-situ d’un MOF (le microporeux MIL-53(Al)-FA) en présence de biomolécules (BSA) dans des conditions compatibles avec la préservation de la structure protéique (en solution aqueuse à température ambiante). Les matériaux hybrides obtenus ont été caractérisés en couplant de nombreuses techniques. Cette méthode d’encapsulation a conduit à des taux d’immobilisation… Advisors/Committee Members: Steunou, Nathalie (thesis director), Ricoux, Rémy (thesis director).

Subjects/Keywords: MOFs; Enzymes; Immobilisation; Bio-Ctalyse; Environnement; MOFs; Enzymes; Immobilization; Bio-Catalysis; Environement; 547.01

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Gkaniatsou, E. (2019). Elaboration of novel enzymatic immobilization matrices, based on Metal-Organic Frameworks for the catalytic degradation of environmental pollutants : Elaboration de nouvelles matrices d’immobilisation enzymatique à base de Metal-Organic Frameworks pour la dégradation catalytique de polluants environnementaux. (Doctoral Dissertation). Université Paris-Saclay (ComUE). Retrieved from http://www.theses.fr/2019SACLV005

Chicago Manual of Style (16^th Edition):

Gkaniatsou, Effrosyni. “Elaboration of novel enzymatic immobilization matrices, based on Metal-Organic Frameworks for the catalytic degradation of environmental pollutants : Elaboration de nouvelles matrices d’immobilisation enzymatique à base de Metal-Organic Frameworks pour la dégradation catalytique de polluants environnementaux.” 2019. Doctoral Dissertation, Université Paris-Saclay (ComUE). Accessed January 19, 2021. http://www.theses.fr/2019SACLV005.

MLA Handbook (7^th Edition):

Gkaniatsou, Effrosyni. “Elaboration of novel enzymatic immobilization matrices, based on Metal-Organic Frameworks for the catalytic degradation of environmental pollutants : Elaboration de nouvelles matrices d’immobilisation enzymatique à base de Metal-Organic Frameworks pour la dégradation catalytique de polluants environnementaux.” 2019. Web. 19 Jan 2021.

Vancouver:

Gkaniatsou E. Elaboration of novel enzymatic immobilization matrices, based on Metal-Organic Frameworks for the catalytic degradation of environmental pollutants : Elaboration de nouvelles matrices d’immobilisation enzymatique à base de Metal-Organic Frameworks pour la dégradation catalytique de polluants environnementaux. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); 2019. [cited 2021 Jan 19]. Available from: http://www.theses.fr/2019SACLV005.

Council of Science Editors:

Gkaniatsou E. Elaboration of novel enzymatic immobilization matrices, based on Metal-Organic Frameworks for the catalytic degradation of environmental pollutants : Elaboration de nouvelles matrices d’immobilisation enzymatique à base de Metal-Organic Frameworks pour la dégradation catalytique de polluants environnementaux. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); 2019. Available from: http://www.theses.fr/2019SACLV005

Universitat Autònoma de Barcelona

19. Avci, Civan. Zeolitic imidazolate framework-8: control of particle size and shape and its self-assembly.

Degree: Departament de Química, 2018, Universitat Autònoma de Barcelona

URL: http://hdl.handle.net/10803/666786

► The present Thesis aims to give the reader new insights on the controlled manipulation of Metal-Organic Framework (MOF) materials with nano-scale precision and its consequences… (more)

▼ The present Thesis aims to give the reader new insights on the controlled manipulation of Metal-Organic Framework (MOF) materials with nano-scale precision and its consequences in the final properties and applications. The study presented here hopes to form a bridge between MOFs and Nanotechnology; which means, bridging the classical expectations from the bulk properties of MOFs with novel functions that can arise upon the manipulation at the nano-scale. Here we demonstrate this bridging with a prototypical MOF, namely Zeolitic-Imidazolate Framework-8 (ZIF-8), which is one of the most studied MOF, due to its easy synthesis and promising properties including high porosity and exceeding thermal, chemical and water stability. The Thesis is organized into two parts. Chapter 1 constitutes the first part where the reader will find an introduction of the concept of porosity, with examples of naturally porous materials. This Chapter continues with a brief introduction of MOFs, an extensive introduction to ZIFs and, even more extensive introduction to ZIF-8. Thanks to the carefully selected examples and concepts, this introductory Chapter attempts to draw attention of the reader to the main point of this Thesis, which is the manipulation of MOFs at the nano-scale in order to reach beyond the classical aspects. The second part of this Thesis starts with a description of the objectives in Chapter 2. Then, each chapters 3, 4 and 5 includes a publication related to the manipulation of ZIF-8 at the nano-scale using ZIF-8 and -in some cases- other MOFs. In these studies, we followed three main approaches: 1. Post-synthetic top-down approach; 2. Post-synthetic bottom-up approach; and 3. In-situ modulation and self-assembly of particles. The publication in Chapter 3 is related to the post-synthetic top-down approach, explaining the anisotropic etching of ZIF-8 crystals to reach unprecedented shapes that are unachievable by conventional synthetic methods. The publication also attempts to explain the underlying mechanism of this anisotropic etching of ZIF-8 crystals. Also, to shed light on other MOFs and to prove the generality of the method, anisotropic etching of ZIF-67 crystals is demonstrated. The second publication, which constitutes Chapter 4, is centered on the post-synthetic bottom-up approach where the size, shape, composition and architecture of ZIF-8 and ZIF-67 crystals are modified using post-synthetic wet-chemistry. This publication explains the manipulation of MOF crystals by post-synthetic growing steps of other MOF layers, the functionalization of MOF particles with inorganic nanoparticles (InNPs) and finally, the design of complex multi-layered MOF-InNP composite materials that can be used as catalysts in cascade reactions. The last publication presented in this Thesis, in Chapter 5, is related to the in-situ modulation and self-assembly of MOF particles. This publication includes the production of MOF particles with very high size and shape monodispersity using surfactants as modulators. In this sense, highly… Advisors/Committee Members: [email protected] (authoremail), true (authoremailshow), Maspoch Comamala, Daniel (director), Imaz Gabilondo, Inhar (director).

Subjects/Keywords: Marxes metal·lorgàniques; Redes metal-orgánicas; Metal-organic frameworks; MOFs colloidals; MOFs colloidales; Colloidal MOFs; Auto-assemblatge; Auto-ensamblaje; Self.assembly; Ciències Experimentals; 546

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Avci, C. (2018). Zeolitic imidazolate framework-8: control of particle size and shape and its self-assembly. (Thesis). Universitat Autònoma de Barcelona. Retrieved from http://hdl.handle.net/10803/666786

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Avci, Civan. “Zeolitic imidazolate framework-8: control of particle size and shape and its self-assembly.” 2018. Thesis, Universitat Autònoma de Barcelona. Accessed January 19, 2021. http://hdl.handle.net/10803/666786.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Avci, Civan. “Zeolitic imidazolate framework-8: control of particle size and shape and its self-assembly.” 2018. Web. 19 Jan 2021.

Vancouver:

Avci C. Zeolitic imidazolate framework-8: control of particle size and shape and its self-assembly. [Internet] [Thesis]. Universitat Autònoma de Barcelona; 2018. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/10803/666786.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Avci C. Zeolitic imidazolate framework-8: control of particle size and shape and its self-assembly. [Thesis]. Universitat Autònoma de Barcelona; 2018. Available from: http://hdl.handle.net/10803/666786

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

20. Hardian, Rifan. Interplay between structure, texture, and reactivity in MOFs in the case of amorphous, defective, and composite materials : Interaction entre la texture, la structure et la réactivité dans des matériaux poreux de type MOFs.

Degree: Docteur es, Sciences des Matériaux, Physique, Chimie et Nanosciences, 2018, Aix Marseille Université

URL: http://www.theses.fr/2018AIXM0419

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Metal-Organic Frameworks (MOFs) sont constitués de clusters métalliques connectés dans les ligands organiques. L'objectif principal de ma thèse était de caractériser la texture, la structure… (more)

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Metal-Organic Frameworks (MOFs) sont constitués de clusters métalliques connectés dans les ligands organiques. L'objectif principal de ma thèse était de caractériser la texture, la structure et la réactivité des MOFs dans le cas de systèmes présentant des défauts, amorphes et composites.La première étude est centrée sur les propriétés de la famille Fe-BTC et ce travail a été réalisé en collaboration avec l'Université d'Utrecht et l'Université d'Oxford. Une étude comparative entre le MIL-100(Fe) et son homologue commercial Basolite F300 (BASF) qui est amorphe ont été évaluées par l’adsorption de méthanol et d'autres techniques de caractérisation. De plus, les deux matériaux ont été testés pour être utilisés comme support pour l'imprégnation des métaux.Dans la deuxième étude, le broyage à la bille est utilisé comme stratégie de modification post-synthèse de MOFs. Le matériau ZIF-8 a été sélectionné de cas car il s'agit d'un MOF disponible dans le commerce (Basolite Z1200) et qui est en train de devenir de référence dans ce domaine. Ce chapitre examiner des propriétés flexibles, de la texture, de la structure, et la réactivité.Les MOFs UiO-66 et MOF-808 sont également analysées. Ces études ont été réalisées en collaboration avec l'Université Technique de Munich. UiO-66 contenant différents défauts d'ingénierie sont examinées. Nous avons démontré que les mesures d’adsorption de vapeur peuvent être un outil précieux pour accéder à la chimie des défauts. Le deuxième système est la série MOF-808 qu’une étude complète est présentée allant des diverses stratégies de synthèse de MOFs défectueux et composites jusqu'à leur propriété d'adsorption et de réactivité

Metal-organic frameworks (MOFs) are a class of porous materials that constructed from metal clusters connected with organic linkers. The main objective of my PhD was to characterize the texture, structure, and reactivity of MOFs materials with a particular focus on defective, amorphous and composite materials. The first study is centered on the properties of the Fe-BTC family and this work was realized in collaboration with Utrecht University and the University of Oxford. A comparative study between crystalline MIL-100(Fe) and its commercial counterpart amorphous Basolite F300 (BASF) were studied by using methanol adsorption to predict the reactivity. Other characterization methods are introduced to investigate both materials which were further tested to be used as supports for metal-impregnation. In the next study, ball-milling was employed as a post-synthesis strategy for MOF modification. This ZIF-8 material was selected since it is commercially available (Basolite Z1200) and is becoming one of the reference materials in this area. Extensive studies including flexibility, textural, structural, as well as reactivity of different milling products is presented. Zirconium-based MOFs (UiO-66 and MOF-808) were also examined in this thesis. These studies were performed in collaboration with TU Munich. UiO-66 series containing engineered defects are first examined. We…

Advisors/Committee Members: Llewellyn, Philip (thesis director), Coulet, Marie-Vanessa (thesis director).

Subjects/Keywords: MOFs; Défauts; Amorphe; Nanoparticule métallique; Adsorption; Structure; Texture; Réactivité; MOFs; Defects; Amorphous; Metal nanoparticles; Adsorptions; Structure; Texture; Reacivicty

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Hardian, R. (2018). Interplay between structure, texture, and reactivity in MOFs in the case of amorphous, defective, and composite materials : Interaction entre la texture, la structure et la réactivité dans des matériaux poreux de type MOFs. (Doctoral Dissertation). Aix Marseille Université. Retrieved from http://www.theses.fr/2018AIXM0419

Chicago Manual of Style (16^th Edition):

Hardian, Rifan. “Interplay between structure, texture, and reactivity in MOFs in the case of amorphous, defective, and composite materials : Interaction entre la texture, la structure et la réactivité dans des matériaux poreux de type MOFs.” 2018. Doctoral Dissertation, Aix Marseille Université. Accessed January 19, 2021. http://www.theses.fr/2018AIXM0419.

MLA Handbook (7^th Edition):

Hardian, Rifan. “Interplay between structure, texture, and reactivity in MOFs in the case of amorphous, defective, and composite materials : Interaction entre la texture, la structure et la réactivité dans des matériaux poreux de type MOFs.” 2018. Web. 19 Jan 2021.

Vancouver:

Hardian R. Interplay between structure, texture, and reactivity in MOFs in the case of amorphous, defective, and composite materials : Interaction entre la texture, la structure et la réactivité dans des matériaux poreux de type MOFs. [Internet] [Doctoral dissertation]. Aix Marseille Université 2018. [cited 2021 Jan 19]. Available from: http://www.theses.fr/2018AIXM0419.

Council of Science Editors:

Hardian R. Interplay between structure, texture, and reactivity in MOFs in the case of amorphous, defective, and composite materials : Interaction entre la texture, la structure et la réactivité dans des matériaux poreux de type MOFs. [Doctoral Dissertation]. Aix Marseille Université 2018. Available from: http://www.theses.fr/2018AIXM0419

21. Alvarez, Elsa. Traitement de l'air habitacle par des matériaux hybrides de type Metal-Organic Frameworks : Adsorption of Volatile Organic Compounds on Metal-Organic Frameworks.

Degree: Docteur es, Chimie, 2016, Université Paris-Saclay (ComUE)

URL: http://www.theses.fr/2016SACLV006

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La sensibilisation du grand public à la pollution intérieure, les exigences croissantes des réglementations/recommandations le tout combiné à une nécessité de se démarquer de la… (more)

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La sensibilisation du grand public à la pollution intérieure, les exigences croissantes des réglementations/recommandations le tout combiné à une nécessité de se démarquer de la concurrence, font de la limitation de la concentration des COV (COV : Composés Organiques Volatiles) dans l’air habitacle un enjeu crucial pour l’industrie automobile. En effet, à l’intérieur des véhicules, les COV sont principalement issus de l’air extérieur par combustion et évaporation du carburant mais, contrairement aux autres polluants, peuvent également avoir une origine intérieure à l’habitacle de par la désorption de substances chimiques utilisées lors de la fabrication des matériaux présents dans le véhicule. La capture des COV par adsorption sur charbons actifs ou zéolithes est à ce jour l’une des techniques d’abattement des COVs les plus efficaces et les moins coûteuses mais souffre de certaines limitations (sélectivité, régénération). L’objectif de cette thèse a consisté à étudier une alternative avec l’emploi d’une autre classe d’adsorbants ‘hybrides’ : les Metal-Organic Frameworks (MOFs). Formés de briques inorganiques connectées par des ligands organiques, ces matériaux poreux cristallisés présentent une grande diversité structurale ainsi qu’une composition chimique (métal, ligand) et une porosité (taille des pores, surface spécifique et volume poreux) extrêmement modulables. Cela vient de la possibilité quasi-infinie de faire varier à la fois le centre métallique et le ligand organique, ce que l’on ne retrouve pas à cette échelle chez les zéolithes et les charbons actifs. Le travail a consisté à évaluer les performances d’une série d’une dizaine de MOFs, possédant des propriétés chimiques (acidité, redox, hydrophiles/hydrophobes, …) et structurales (taille et forme des pores, réseaux rigides ou flexibles…) différenciées mais aussi de leur stabilité avérée (eau, température) et mise à l’échelle déjà établie. En plus des caractérisations usuelles (diffraction des rayons X, analyse thermogravimétrique, spectroscopie Infra-Rouge, porosimétrie N2 à 77K), la spectroscopie Infra-Rouge operando a été utilisée pour simuler le comportement de ces MOFs en présence de COV dans des conditions aussi proches que possible de la réalité. Les adsorbants les plus prometteurs ont ensuite été mis à l’échelle (50-100 g) et mis en forme (pastilles) puis testés en chambre de simulation environnementale.

The indoor air pollution awareness of general public and the increasing demands of regulations / recommendations, combined with a need to stand out from the competition, make limiting the concentration of VOCs (VOCs : volatile organic compounds ) in the air cockpit crucial for the automotive industry. For example, inside a vehicle, the VOCs are originated from the outside air by combustion and evaporation of fuel. However, unlike other pollutants, it may also have an inner origin from the desorption of existing chemical substances used in the manufacture of the vehicle. Thus, the capture of VOCs by adsorption is one of the challenging techniques…

Advisors/Committee Members: Serre, Christian (thesis director).

Subjects/Keywords: Cov; MOFs; Adsorption; Air habitacle; Infrarouge; Chambre environnementale; Voc; MOFs; Adsorption; Indoor air pollution; Infrared; Environmental chamber; 546.1

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Alvarez, E. (2016). Traitement de l'air habitacle par des matériaux hybrides de type Metal-Organic Frameworks : Adsorption of Volatile Organic Compounds on Metal-Organic Frameworks. (Doctoral Dissertation). Université Paris-Saclay (ComUE). Retrieved from http://www.theses.fr/2016SACLV006

Chicago Manual of Style (16^th Edition):

Alvarez, Elsa. “Traitement de l'air habitacle par des matériaux hybrides de type Metal-Organic Frameworks : Adsorption of Volatile Organic Compounds on Metal-Organic Frameworks.” 2016. Doctoral Dissertation, Université Paris-Saclay (ComUE). Accessed January 19, 2021. http://www.theses.fr/2016SACLV006.

MLA Handbook (7^th Edition):

Alvarez, Elsa. “Traitement de l'air habitacle par des matériaux hybrides de type Metal-Organic Frameworks : Adsorption of Volatile Organic Compounds on Metal-Organic Frameworks.” 2016. Web. 19 Jan 2021.

Vancouver:

Alvarez E. Traitement de l'air habitacle par des matériaux hybrides de type Metal-Organic Frameworks : Adsorption of Volatile Organic Compounds on Metal-Organic Frameworks. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); 2016. [cited 2021 Jan 19]. Available from: http://www.theses.fr/2016SACLV006.

Council of Science Editors:

Alvarez E. Traitement de l'air habitacle par des matériaux hybrides de type Metal-Organic Frameworks : Adsorption of Volatile Organic Compounds on Metal-Organic Frameworks. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); 2016. Available from: http://www.theses.fr/2016SACLV006

22. Foucher, Damien. Impact de l'eau dans la flexibilité des MOFs : Impact of water on MOFs flexibilty.

Degree: Docteur es, Chimie, 2016, Université Paris-Saclay (ComUE)

URL: http://www.theses.fr/2016SACLV059

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Les MOFs sont des matériaux hybrides (organiques/inorganiques), nanoporeux et cristallin. La périodicité et la porosité apportent à ces matériaux des propriétés modulables par la topologie… (more)

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Les MOFs sont des matériaux hybrides (organiques/inorganiques), nanoporeux et cristallin. La périodicité et la porosité apportent à ces matériaux des propriétés modulables par la topologie des réseaux et par les interactions entre le réseau et les molécules qui peuvent pénétrer dans les nanopores. L'adsorption de molécules dans les pores permet les séparations de mélanges, la séquestration sélective de molécules, la catalyse, le stockage de l'énergie etc... La flexibilité de certains MOFs est caractérisée par des variations de volume, parfois extrêmes, pouvant modifier de manières significatives les propriétés de ces matériaux. L'eau est tout à la fois une impureté inévitable dans les usages pratiques de ces composés mais également un composant important dans la modulation de la flexibilité. Bien que les nombreuses études publiées offrent une vision globale de la flexibilité et des interactions mises en jeu lors de l'adsorption de molécules de différentes natures, l'eau reste cependant une de celles qui résistent le plus aux mesures et aux interprétations. Cette thèse a eu pour objet d'utiliser de façon conjointe la diffraction des rayons-X synchrotron, des neutrons et a résonance magnétique nucléaire (RMN), pour ré-investiguer le rôle de l'eau dans la flexibilité de deux MOFs archétypiques, le UiO-66 (ZrCDC) et le MIL-53(Al). Nos résultats ont permis d'éclairer plusieurs points critiques. Avec ZrCDC il a pu être montré qu'en présence d'eau, les deux briques de constructions, inorganique et organique, sont couplées tout en ayant chacune une flexibilité distincte. Pour MIL-53(Al), la réinvestigation a été notablement plus conséquente, reprenant le suivi de la flexibilité en température de la phase anhydre et sous l'influence des gaz composants de l'air, oxygène et azote, puis l’étude du rôle de l'eau par RMN qui permet de caractériser les modifications structurales et dynamiques des phases anhydre et hydratée. Le suivi progressif de l'adsorption et de la désorption a notamment permis de mettre en évidence des phénomènes d'échange protoniques lents responsables des hystérèses observés. Ces résultats permettent de remettre en perspective les études antécédentes et de proposer une description renouvelée de la flexibilité de ces composés, comme une "horlogerie cristalline" des mouvements moléculaires.

MOFs (metal-organic-frameworks) are hybrid (organic/inorganic) crystalline nanoporous materials. Periodicity and porosity provide to these materials modularity of properties by the topology of networks, and interactions between the framework and penetrating molecules in nanopores. Adsorption of molecules in pores allows for mixtures separation, selective sequestration of molecules, catalysis, storage of energy etc... Flexibility of some MOFs is characterized by extremes volume variations modifying properties of these materials. Water is at the same time an inevitable impurity in practical uses of such compounds and an equally significant component for modulation of flexibility. Although many published studies provide…

Advisors/Committee Members: Taulelle, Francis (thesis director), Porcher, Florence (thesis director).

Subjects/Keywords: MOFs; Flexibilité; Rmn du solide; Diffraction; Neutron; Synchrotron; MOFs; Flexibiliy; Solid-state NMR; Diffraction; Neutron; Synchrotron; 546.1

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Foucher, D. (2016). Impact de l'eau dans la flexibilité des MOFs : Impact of water on MOFs flexibilty. (Doctoral Dissertation). Université Paris-Saclay (ComUE). Retrieved from http://www.theses.fr/2016SACLV059

Chicago Manual of Style (16^th Edition):

Foucher, Damien. “Impact de l'eau dans la flexibilité des MOFs : Impact of water on MOFs flexibilty.” 2016. Doctoral Dissertation, Université Paris-Saclay (ComUE). Accessed January 19, 2021. http://www.theses.fr/2016SACLV059.

MLA Handbook (7^th Edition):

Foucher, Damien. “Impact de l'eau dans la flexibilité des MOFs : Impact of water on MOFs flexibilty.” 2016. Web. 19 Jan 2021.

Vancouver:

Foucher D. Impact de l'eau dans la flexibilité des MOFs : Impact of water on MOFs flexibilty. [Internet] [Doctoral dissertation]. Université Paris-Saclay (ComUE); 2016. [cited 2021 Jan 19]. Available from: http://www.theses.fr/2016SACLV059.

Council of Science Editors:

Foucher D. Impact de l'eau dans la flexibilité des MOFs : Impact of water on MOFs flexibilty. [Doctoral Dissertation]. Université Paris-Saclay (ComUE); 2016. Available from: http://www.theses.fr/2016SACLV059

23. Lalitha, Anusha. Modelling of MOF/Graphene oxide composites and their performances for CO2 capture : Modélisation des composites MOFs/Oxyde de graphène et leurs performances pour le captage de CO2.

Degree: Docteur es, Chimie et physico-chimie des matériaux, 2020, Montpellier

URL: http://www.theses.fr/2020MONTS003

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La problématique du réchauffement de la planète causé par l’émission de gaz à effet de serre est actuellement un enjeu sociétal majeur. La capture de… (more)

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La problématique du réchauffement de la planète causé par l’émission de gaz à effet de serre est actuellement un enjeu sociétal majeur. La capture de CO2 par l’utilisation de matériaux poreux apparait comme une solution viable. Des composites construits à partir de l’assemblage d’oxyde de graphène (GO) et de matériaux hybrides poreux de type MOFs ont récemment été proposés comme des candidats prometteurs pour l’adsorption sélective du CO2 vis-à-vis d’autres gaz, comme N2 et CH4. Dans cette thèse, une attention particulière a été portée à la construction de modèles structuraux pour le GO incorporant différentes fonctionnalités chimiques. Une méthodologie computationnelle innovante intégrant des approches quantiques et classiques (Dynamique Moléculaire) a été ensuite mise en œuvre pour construire des modèles microscopiques des composites MOF/GO et caractériser leurs interfaces en termes de taux de recouvrement, nature des sites d’interaction et déformation du GO, des paramètres qui jouent un rôle majeur dans la compatibilité du composite. Cette étude a été menée de façon systématique en faisant varier la nature à la fois du MOF et de la fonctionnalisation du GO. Par la suite, les performances de séparation de ces systèmes ont été modélisées à l'aide de simulations Monte Carlo. Cet effort computationnel a été mené en lien étroit avec des données expérimentales issues de différentes collaborations au sein du projet H2020 EU GRAMOFON. Les conclusions de cette thèse ouvrent la voie à un développement plus rationnel des membranes à matrice mixte MOF/GO.

Recently, most of the research attention has been focused on controlling global warming resulting from the emission of greenhouse gases. The advantage of developing adsorbents for physisorption-based CO2 capture resides in the reduction of energy penalty and easier recyclability. Composite systems (MOF/GO) made from the assembly of graphene oxide (GO) with Metal organic frameworks (MOFs) together with tailored functionalities have been recently revealed as promising candidates to selectively adsorb CO2 over diverse gases including N2 and CH4. In this PhD, an innovative computational methodology integrating density functional theory calculations and force field-based molecular dynamics simulation has been applied to provide a first atomistic picture of the interactions at the MOF/GO interface with the main objective to characterize the nature of the interactions between the two components, the surface coverage, the GO conformation that all together are expected to play a key role in the compatibility of the composite. As a first step, a careful attention has been paid to develop a structural model for the GO containing –hydroxyl, -epoxy and –carboxylic groups consistent with the experimental observation on the C/O ratios. As a proof of concept, the zinc-based zeolite imidazole framework ZIF-8 has been considered and its MOF surface model has been taken from our previous work. The MOF/GO interface has been further built and detailed analysis of the MOF/GO interfaces has…

Advisors/Committee Members: Maurin, Guillaume (thesis director).

Subjects/Keywords: Modélisation Dynamique; MOFs; Oxyde de Graphène; Interfaces; Adsorption; Captage de CO2; Molecular dynamics; MOFs; Graphene oxide; Interfaces; Adsorption; CO2 capture

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Lalitha, A. (2020). Modelling of MOF/Graphene oxide composites and their performances for CO2 capture : Modélisation des composites MOFs/Oxyde de graphène et leurs performances pour le captage de CO2. (Doctoral Dissertation). Montpellier. Retrieved from http://www.theses.fr/2020MONTS003

Chicago Manual of Style (16^th Edition):

Lalitha, Anusha. “Modelling of MOF/Graphene oxide composites and their performances for CO2 capture : Modélisation des composites MOFs/Oxyde de graphène et leurs performances pour le captage de CO2.” 2020. Doctoral Dissertation, Montpellier. Accessed January 19, 2021. http://www.theses.fr/2020MONTS003.

MLA Handbook (7^th Edition):

Lalitha, Anusha. “Modelling of MOF/Graphene oxide composites and their performances for CO2 capture : Modélisation des composites MOFs/Oxyde de graphène et leurs performances pour le captage de CO2.” 2020. Web. 19 Jan 2021.

Vancouver:

Lalitha A. Modelling of MOF/Graphene oxide composites and their performances for CO2 capture : Modélisation des composites MOFs/Oxyde de graphène et leurs performances pour le captage de CO2. [Internet] [Doctoral dissertation]. Montpellier; 2020. [cited 2021 Jan 19]. Available from: http://www.theses.fr/2020MONTS003.

Council of Science Editors:

Lalitha A. Modelling of MOF/Graphene oxide composites and their performances for CO2 capture : Modélisation des composites MOFs/Oxyde de graphène et leurs performances pour le captage de CO2. [Doctoral Dissertation]. Montpellier; 2020. Available from: http://www.theses.fr/2020MONTS003

24. Xydias, Pantelis. Νέα νανοπορώδη στερεά ανόργανου - οργανικού σκελετού για αποθήκευση και διαχωρισμό αερίων συμπεριλαμβανομένων H2, CO2 και CH4.

Degree: 2015, University of Crete (UOC); Πανεπιστήμιο Κρήτης

URL: http://hdl.handle.net/10442/hedi/40036

► This thesis investigates the synthesis and study of Metal-organic Frameworks (MOFs), for applications in gas adsorption, predominantly CO2, CH4, N2 and Η2.The greenhouse effect and… (more)

▼ This thesis investigates the synthesis and study of Metal-organic Frameworks (MOFs), for applications in gas adsorption, predominantly CO2, CH4, N2 and Η2.The greenhouse effect and the subsequent depletion of natural fossil fuel, leads the research around the world towards “green applications”. Basic goal is the sequencing of CO2 emissions, which is the major contributor to the greenhouse effect. Methane has been suggested as a first line alternative for fossil fuel, due to its low C content leading to fewer CO2 emissions. Another alternative is the use of Η2 as fuel since the only byproduct during its burning is water. Both applications are economically and energetically costly. In the meantime, growing economies, like China and India, demand even more energy for their industry. As a solution to this, the use of MOFs as gas carriers has been suggested, mostly due to their high surface areas and their ability to be modified with tailor-made functionalities, depending on the application they are targeted for.In the first part, the synthesis of a series of materials with Zn2+ SBUs bridged with bitopic (UoC-1a and UoC-1b) or mixed bitopic and tritopic ligands (UoC-2a and UoC-2b). UoC-1a and UoC-1b are isostructural to IRMOF-9 and is made up of the well known Zn4O SBU of IRMOFs bridged with –ΟΗ functionalized ligands. They show an increase in the uptake of the gases we are interested for and interact better in comparison to IRMOF-9, although they have a much smaller BET surface. UoC-2a and UoC-2b have a similar structure to MOF-205. H2ndc and H2ndc-oh are used in place of the ditopic ligand where as H3tatab is used instead of H3btb. UoC-2b is one of the few instances, if not the only, that the ligands of a MOF carry acidic and basic functionalities simultaneously. Gas adsorption for UoC-2a is described.The second part investigates the synthesis and study of a series of Zr and Hf-MOFs, isoreticular to UiO-67, which have different functionalities on the bitopic H2bpdc ligand. The ability of these materials to have defects in their lattice in the form of coordinated AcO- or OH- on the Zr6(μ3-Ο)4(μ3-ΟΗ)4(-CO2)12 SBU, is proven via NMR and TG. These defects stem from the use of auxiliary (AcOH) or mineral acids (HCl) as co-reagents, which are necessary for the MOF synthesis. The presence of functionalities on the ligand causes significant improvement in the gas sorption properties, mostly CO2. UoC-3, functionalized with –SO2 groups leads to 122% increase in CO2 uptake and 55% increase in compared to non functionalized UiO-67. Respectively UoC-7, functionalized with –NO2 groups, adsorbs 116% more CO2 and has 32% higher compared to the starting MOF. The CH4, N2 and H2 uptake is described along with CO2/CH4 and CO2/N2 selectivity, in some of them.The third part involves the synthesis of MOFs with Al3+ SBUs and the H2bpydc ligand. Coordination of PdCl2 and subsequent reduction using H2 at elevated temperatures, afforded MOFs loaded with metallic Pd nanoparticles. Materials with three different loadings were synthesized and…

Subjects/Keywords: Μεταλλοργανικά πλέγματα; MOFs; Ενώσεις συναρμογής; Προσρόφηση αερίων; Διαχωρισμός αερίων; Εκλεκτικότητα; Metal organic frameworks; MOFs; Coordination compounds; Gas adsorption; Gas separation; Selectivity

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Xydias, P. (2015). Νέα νανοπορώδη στερεά ανόργανου - οργανικού σκελετού για αποθήκευση και διαχωρισμό αερίων συμπεριλαμβανομένων H2, CO2 και CH4. (Thesis). University of Crete (UOC); Πανεπιστήμιο Κρήτης. Retrieved from http://hdl.handle.net/10442/hedi/40036

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Xydias, Pantelis. “Νέα νανοπορώδη στερεά ανόργανου - οργανικού σκελετού για αποθήκευση και διαχωρισμό αερίων συμπεριλαμβανομένων H2, CO2 και CH4.” 2015. Thesis, University of Crete (UOC); Πανεπιστήμιο Κρήτης. Accessed January 19, 2021. http://hdl.handle.net/10442/hedi/40036.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Xydias, Pantelis. “Νέα νανοπορώδη στερεά ανόργανου - οργανικού σκελετού για αποθήκευση και διαχωρισμό αερίων συμπεριλαμβανομένων H2, CO2 και CH4.” 2015. Web. 19 Jan 2021.

Vancouver:

Xydias P. Νέα νανοπορώδη στερεά ανόργανου - οργανικού σκελετού για αποθήκευση και διαχωρισμό αερίων συμπεριλαμβανομένων H2, CO2 και CH4. [Internet] [Thesis]. University of Crete (UOC); Πανεπιστήμιο Κρήτης; 2015. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/10442/hedi/40036.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Xydias P. Νέα νανοπορώδη στερεά ανόργανου - οργανικού σκελετού για αποθήκευση και διαχωρισμό αερίων συμπεριλαμβανομένων H2, CO2 και CH4. [Thesis]. University of Crete (UOC); Πανεπιστήμιο Κρήτης; 2015. Available from: http://hdl.handle.net/10442/hedi/40036

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

25. ALVES, Iane Bezerra Vasconcelos. Metal-Organic Frameworks (MOFs): alternativa inteligente para carreamento de fármacos anti-inflamatório e antineoplásico .

Degree: 2013, Universidade Federal de Pernambuco

URL: http://repositorio.ufpe.br/handle/123456789/12091

► As redes Metalorgânicas (MOFs) têm sido empregadas na veiculação de fármacos, permitindo a criação de um novo caminho para a difusão dessas substâncias bioativas, além… (more)

▼ As redes Metalorgânicas (MOFs) têm sido empregadas na veiculação de fármacos, permitindo a criação de um novo caminho para a difusão dessas substâncias bioativas, além de fornecer maior proteção, melhor transporte e entrega de diversos fármacos no organismo. As MOFs são compostos de coordenação que se destacam na área de nanotecnologia, por serem materiais altamente porosos, apresentarem elevada área superficial, versatilidade para funcionalização, dentre outras peculiaridades. Neste cenário, é fundamental a sua utilização para o advento de um novo sistema de liberação de fármacos, o que conduz ao desenvolvimento de abordagens originais no âmbito da inovação terapêutica. Partindo desta ótica, o objetivo deste trabalho foi utilizar estas redes de coordenação na liberação controlada de fármacos, tendo como foco as áreas de inflamação e câncer. Para o estudo da incorporação dos fármacos ibuprofeno (IBU) e doxorrubicina (DOXO), tanto na Zeolite Imidazolate Framework-8 (ZIF-8) quanto na [Zn(BDC)(H2O)2] n, foi utilizado o método de difusão. A determinação quantitativa dos fármacos incorporados, bem como a concentração dos mesmos, foram determinadas por espectrofotometria no UV-Vis. A incorporação dos fármacos e o comportamento dos materiais propostos foram confirmados por espectroscopia vibracional na região do infravermelho, microscopia eletrônica de varredura, difração de raios-X, análise termogravimétrica, espectroscopia de luminescência e espectroscopia fotoelétrica de raios-X. Na ZIF-8 foram incorporados 41% e 99% do ibuprofeno e da doxorrubicina, respectivamente. Já na [Zn(BDC)(H2O)2] n, foram incorporados 44% e 92% dos mesmos fármacos. Quanto ao perfil de liberação dos fármacos foi demonstrado que a doxorrubicina apresentou uma taxa de liberação lenta, quando comparado com outros sistemas. Avaliação citotóxica através do método MTT, demonstrou bons resultados antineoplásicos do sistema DOXO-ZIF-8, apresentando valores de IC50 que variaram de 0,79 a 14,96 μg/mL, frente a 3 linhagens de células tumorais, sendo mais ativo para linhagem de pulmão. Sugerimos assim, o desenvolvimento de um sistema de liberação a base de MOFs. Advisors/Committee Members: ALVES JÚNIOR, Severino (advisor), SILVA, Teresinha Gonçalves da (advisor).

Subjects/Keywords: MOFs; Sistemas de liberação de fármacos; Câncer; Inflamação

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

ALVES, I. B. V. (2013). Metal-Organic Frameworks (MOFs): alternativa inteligente para carreamento de fármacos anti-inflamatório e antineoplásico . (Thesis). Universidade Federal de Pernambuco. Retrieved from http://repositorio.ufpe.br/handle/123456789/12091

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

ALVES, Iane Bezerra Vasconcelos. “Metal-Organic Frameworks (MOFs): alternativa inteligente para carreamento de fármacos anti-inflamatório e antineoplásico .” 2013. Thesis, Universidade Federal de Pernambuco. Accessed January 19, 2021. http://repositorio.ufpe.br/handle/123456789/12091.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

ALVES, Iane Bezerra Vasconcelos. “Metal-Organic Frameworks (MOFs): alternativa inteligente para carreamento de fármacos anti-inflamatório e antineoplásico .” 2013. Web. 19 Jan 2021.

Vancouver:

ALVES IBV. Metal-Organic Frameworks (MOFs): alternativa inteligente para carreamento de fármacos anti-inflamatório e antineoplásico . [Internet] [Thesis]. Universidade Federal de Pernambuco; 2013. [cited 2021 Jan 19]. Available from: http://repositorio.ufpe.br/handle/123456789/12091.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

ALVES IBV. Metal-Organic Frameworks (MOFs): alternativa inteligente para carreamento de fármacos anti-inflamatório e antineoplásico . [Thesis]. Universidade Federal de Pernambuco; 2013. Available from: http://repositorio.ufpe.br/handle/123456789/12091

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

26. Dikran Vasconcelos Bruce, Ênio. Simulação computacional da adsorção de metano em novos materiais metal orgânicos .

Degree: 2011, Universidade Federal de Pernambuco

URL: http://repositorio.ufpe.br/handle/123456789/1647

► Recentemente uma nova classe de materiais nano- e meso-porosos foi desenvolvida baseada em redes metal-orgânicas (MOFs), que, por manterem sua porosidade e estrutura cristalina, tem… (more)

▼ Recentemente uma nova classe de materiais nano- e meso-porosos foi desenvolvida baseada em redes metal-orgânicas (MOFs), que, por manterem sua porosidade e estrutura cristalina, tem provocado mudanças significativas no campo de armazenamento e separação de gáses, catálise e química em espaços confinados. O desenvolvimento de novos materiais é indispensável para eliminar alguns problemas no armazenamento de gás natural, tais como alta pressão (acima de 182 atm), o que acarreta altos custos e risco. A adsorção e dessorção do gás natural em materiais porosos sólidos podem resolver esse problema. Devido à grande área superficial, porosidade e versatilidade (facilidade para realizar modificações nos espaçadores orgânicos), MOFs e suas classes isoreticulares (IRMOFs) são materiais de grande potencial para fins de armazenamento de gás. De fato, IRMOFs têm a mesma estrutura reticular, mas podem ter uma grande variedade de grupos funcionais, podendo então ser utilizadas do desenvolvimento racional de materiais sorventes para aplicações específicas. As IRMOFs possuem a unidade de construção OZn4(OOC)6 em cada vértice do cubo, que são conectados por espaçadores orgânicos dicarboxilatos. Realizamos simulações computacionais de Monte Carlo Grã-Canônico (GCMC) para obter as isotermas de adsorção absolutas do metano para diversas IRMOFs. As estruturas das IRMOFs foram obtidas com o método quântico semi-empírico AM1 e foram mantidas rígidas durante as simulações GCMC, sendo as moléculas de metano modeladas como esferas rígidas e interagindo entre si e com a IRMOF por um potencial de Lennard-Jones. Os parâmetros deste potencial de interação intermolecular foram obtidos do campo de força universal (UFF) e condições periódicas foram empregadas. Uma nova metodologia foi proposta para determinar a quantidade adsorvida de excesso e efetiva, e assim viabilizar a comparação com os resultados experimentais. Elas consistem em simulações das isotermas de adsorção do gás hélio e do metano sem interações com a IRMOF nas mesmas condições termodinâmicas. Dentre as quinze IRMOFs estudadas, a que teve maior quantidade adsorvida de metano, 240 cm3(CNTP)/cm3, foi a IRMOF-993-4S que consiste de um anel antraceno modificado com átomos de enxofre. As metodologias para determinar as quantidades adsorvidas de excesso e efetiva são simples, sistemáticas e propensas a cancelamento de erros. Entretanto, requerem o dobro de simulações, mas dada a rapidez das simulações esta não é uma limitação muito severa e as metodologias parecem ser adequadas para fornecer, pelo menos, tendências semiquantitativas e servir como ferramenta para a seleção rápida de potenciais adsorventes de gases Advisors/Committee Members: Luiz Longo, Ricardo (advisor).

Subjects/Keywords: Adsorção; Monte Carlo Grã-Canônico; Excesso; MOFs; Metano

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Dikran Vasconcelos Bruce, �. (2011). Simulação computacional da adsorção de metano em novos materiais metal orgânicos . (Thesis). Universidade Federal de Pernambuco. Retrieved from http://repositorio.ufpe.br/handle/123456789/1647

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Dikran Vasconcelos Bruce, Ênio. “Simulação computacional da adsorção de metano em novos materiais metal orgânicos .” 2011. Thesis, Universidade Federal de Pernambuco. Accessed January 19, 2021. http://repositorio.ufpe.br/handle/123456789/1647.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Dikran Vasconcelos Bruce, Ênio. “Simulação computacional da adsorção de metano em novos materiais metal orgânicos .” 2011. Web. 19 Jan 2021.

Vancouver:

Dikran Vasconcelos Bruce �. Simulação computacional da adsorção de metano em novos materiais metal orgânicos . [Internet] [Thesis]. Universidade Federal de Pernambuco; 2011. [cited 2021 Jan 19]. Available from: http://repositorio.ufpe.br/handle/123456789/1647.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Dikran Vasconcelos Bruce �. Simulação computacional da adsorção de metano em novos materiais metal orgânicos . [Thesis]. Universidade Federal de Pernambuco; 2011. Available from: http://repositorio.ufpe.br/handle/123456789/1647

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of California – San Diego

27. Denny, Jr., Michael Stephen. Function through Form: The Development and Application of Polymer Composites of Metal-Organic Frameworks.

Degree: Chemistry, 2018, University of California – San Diego

URL: http://www.escholarship.org/uc/item/4rc430fc

► Metal-organic frameworks (MOFs) are a diverse class of porous materials that hold great promise for providing low-cost solutions in a wide range of applications. Their… (more)

▼ Metal-organic frameworks (MOFs) are a diverse class of porous materials that hold great promise for providing low-cost solutions in a wide range of applications. Their native, powdered form, however limits their inherent utility. Through fabrication of polymer composites, these materials can be prepared in engineered forms that exploit the useful attributes of MOFs in application-ready forms.MOFs that are fabricated into membranes are an especially useful form factor for these engineered materials. Chapter 2 describes the development of mixed matrix membranes (MMMs) with a variety of MOF species. The work shows that the inherent porosity and chemical tunability of the MOFs is retained when prepared in the composite MMM, providing a material that effectively exploits the MOF properties while enhancing the ease of handling and implementation of the MOF material.Chapter 3 shows that not only are the MOF properties retained in the MMM, but that fabrication of the composite material can actually enhance the stability of the MOF in the MMM. A copper-based MOF (HKUST-1) is explored for personal protection against toxic industrial chemicals due to its strong ammonia adsorption behavior. While the native MOF displays high uptake initially, it is unstable and degrades rapidly even in ambient moisture. The MOF in the MMM, however, remains highly active even after aging under harsh conditions for a month.Chapter 4 details various methods for incorporating multiple MOF species into a single MMM for multifunctional materials. Methodologies for fabricating spatially segregated MOF species, fully mixed MOF species, and layered MOF species are described, as well as incorporation ad activation of a cross-linking agent in the MMM formulation to improve the range of solvent tolerance.In Chapter 5, a method for producing melt-processable, covalently integrated MOF-polymer composites is described. Using a postsynthetic polymerization strategy, MOF particles are incorporated into polyamide chains to generate a next generation MOF-polymer composite material. Multiple polymer syntheses are investigated and the materials are shown to retain the MOF crystallinity and polymer melt characteristics in the composite materials.

Subjects/Keywords: Inorganic chemistry; Composites; Membranes; Metal-organic frameworks; MOFs; Polymer

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Denny, Jr., M. S. (2018). Function through Form: The Development and Application of Polymer Composites of Metal-Organic Frameworks. (Thesis). University of California – San Diego. Retrieved from http://www.escholarship.org/uc/item/4rc430fc

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Denny, Jr., Michael Stephen. “Function through Form: The Development and Application of Polymer Composites of Metal-Organic Frameworks.” 2018. Thesis, University of California – San Diego. Accessed January 19, 2021. http://www.escholarship.org/uc/item/4rc430fc.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Denny, Jr., Michael Stephen. “Function through Form: The Development and Application of Polymer Composites of Metal-Organic Frameworks.” 2018. Web. 19 Jan 2021.

Vancouver:

Denny, Jr. MS. Function through Form: The Development and Application of Polymer Composites of Metal-Organic Frameworks. [Internet] [Thesis]. University of California – San Diego; 2018. [cited 2021 Jan 19]. Available from: http://www.escholarship.org/uc/item/4rc430fc.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Denny, Jr. MS. Function through Form: The Development and Application of Polymer Composites of Metal-Organic Frameworks. [Thesis]. University of California – San Diego; 2018. Available from: http://www.escholarship.org/uc/item/4rc430fc

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

28. Han, Rebecca. Computational characterization of disordered metal-organic frameworks.

Degree: PhD, Chemical and Biomolecular Engineering, 2019, Georgia Tech

URL: http://hdl.handle.net/1853/61222

► Metal-organic frameworks (MOFs) are a class of crystalline nanoporous adsorbents with numerous applications due to their highly tunable physical and chemical properties. However, MOFs are… (more)

Subjects/Keywords: MOFs; Computational; DFT; Defects; Stacking faults; Reproducibility; Adsorption; Acid gas; H2O

10 more images…

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Han, R. (2019). Computational characterization of disordered metal-organic frameworks. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/61222

Chicago Manual of Style (16^th Edition):

Han, Rebecca. “Computational characterization of disordered metal-organic frameworks.” 2019. Doctoral Dissertation, Georgia Tech. Accessed January 19, 2021. http://hdl.handle.net/1853/61222.

MLA Handbook (7^th Edition):

Han, Rebecca. “Computational characterization of disordered metal-organic frameworks.” 2019. Web. 19 Jan 2021.

Vancouver:

Han R. Computational characterization of disordered metal-organic frameworks. [Internet] [Doctoral dissertation]. Georgia Tech; 2019. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/1853/61222.

Council of Science Editors:

Han R. Computational characterization of disordered metal-organic frameworks. [Doctoral Dissertation]. Georgia Tech; 2019. Available from: http://hdl.handle.net/1853/61222

Georgia Tech

29. Bhattacharyya, Souryadeep. Effects of acid gas interactions on the adsorption and separation properties of zeolitic imidazolate framework (ZIF) materials.

Degree: PhD, Chemical and Biomolecular Engineering, 2018, Georgia Tech

URL: http://hdl.handle.net/1853/62205

► Separation technology is central to industrial chemical processes, and accounts for ~15% of the world’s energy consumption. Large energy reduction opportunities exist if traditional separation… (more)

▼ Separation technology is central to industrial chemical processes, and accounts for ~15% of the world’s energy consumption. Large energy reduction opportunities exist if traditional separation technologies such as distillation can be replaced or augmented by materials-based, energy efficient processes such as adsorption or membrane separation. The efficacy of such technologies depends on the performance of the materials used as separation agents, which interact at a molecular level with the targeted components of the feed stream in order to accomplish their separation. Among various classes of materials, nanoporous Zeolitic Imidazolate Frameworks (ZIFs), a subclass of Metal Organic Frameworks (MOFs), have been shown to have tremendous potential for applications in chemical separations. This can be attributed to their diverse capabilities for selective separation of molecules, relative thermal and chemical stability among MOFs, and the possibility of fine control over their pore dimensions and functionality through judicious selection of linkers and synthesis conditions. However, the successful translation of these materials in industrial separations not only depends on their selectivity and throughput in a particular separation process, but also on their stability under realistic process conditions. A number of practical applications involve complex mixtures of molecules including acid gas species (e.g., CO2, SOx, NOx, H2S), whose presence can lead to irreversible structural changes in ZIFs and have a detrimental effect on the separation performance. The overall goal of this thesis is to systematically investigate the effects of various acid gases (CO2, SO2, and NO2) on the stability of ZIF materials under different conditions of interest, leading to a more quantitative and generalized mechanistic understanding of ZIF-acid gas interactions. Three objectives are defined to achieve this goal: i) establish a general framework for systematic investigation of acid gas stability of ZIFs, with particular focus on the underlying mechanistic routes of ZIF degradation, specific to each acid gas, ii) create an extensive information database on the stability of different ZIF materials to acid gas species for their immediate selection and application in separation processes, and iii) develop a quantitative approach to the ZIF degradation process from fundamental knowledge, allowing predictions of material stability in acid gas environments. This first objective led to the establishment of a general set of characterization tools, to probe the bulk stability of all ZIF materials to different acid gases and the associated reaction mechanisms. This toolkit was first applied to study the effects of the acid gas CO2 on ZIF stability in Chapter 2, which motivated further investigations on interactions of ZIFs with stronger acid gases SO2 and NO2 in Chapters 3-6. The general investigative framework was applied successfully to 16 ZIF materials and all three acid gases studied in the thesis, revealing striking differences in reaction… Advisors/Committee Members: Nair, Sankar (advisor), Sholl, David S. (advisor), Walton, Krista S. (committee member), Kawajiri, Yoshiaki (committee member), Orlando, Thomas M. (committee member).

Subjects/Keywords: MOFs; ZIFs; Materials; Stability; Separations; Acid gases; SO2; NO2

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Bhattacharyya, S. (2018). Effects of acid gas interactions on the adsorption and separation properties of zeolitic imidazolate framework (ZIF) materials. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/62205

Chicago Manual of Style (16^th Edition):

Bhattacharyya, Souryadeep. “Effects of acid gas interactions on the adsorption and separation properties of zeolitic imidazolate framework (ZIF) materials.” 2018. Doctoral Dissertation, Georgia Tech. Accessed January 19, 2021. http://hdl.handle.net/1853/62205.

MLA Handbook (7^th Edition):

Bhattacharyya, Souryadeep. “Effects of acid gas interactions on the adsorption and separation properties of zeolitic imidazolate framework (ZIF) materials.” 2018. Web. 19 Jan 2021.

Vancouver:

Bhattacharyya S. Effects of acid gas interactions on the adsorption and separation properties of zeolitic imidazolate framework (ZIF) materials. [Internet] [Doctoral dissertation]. Georgia Tech; 2018. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/1853/62205.

Council of Science Editors:

Bhattacharyya S. Effects of acid gas interactions on the adsorption and separation properties of zeolitic imidazolate framework (ZIF) materials. [Doctoral Dissertation]. Georgia Tech; 2018. Available from: http://hdl.handle.net/1853/62205

Vanderbilt University

30. Barpaga, Dushyant. Synthesis and Characterization of Novel Nanoporous Materials for Acidic and Basic Gas Adsorption.

Degree: PhD, Chemical Engineering, 2016, Vanderbilt University

URL: http://hdl.handle.net/1803/10870

► Adsorbent technology employing specificity towards a broad range of target molecules is becoming increasingly important for a variety of applications such as filtration, separation, purification… (more)

▼ Adsorbent technology employing specificity towards a broad range of target molecules is becoming increasingly important for a variety of applications such as filtration, separation, purification and/or storage of fluids. The development of newer, more efficient adsorbent materials is a growing concern for civilian, first responder, and military uses. This dissertation is focused on the synthesis and characterization of novel, nanoporous adsorbents incorporated with metal salts either by further functionalization of pre-synthesized substrates or as precursors in the formation of porous composites like metal-organic frameworks (MOFs). The biphasic substrate primarily used in this work was made up of mesoporous silica derived from MCM-41 and a microporous carbon made from a polymerized alcohol. This carbon silica composite (CSC) was further functionalized by various water-soluble metal salts through single salt impregnations as well as dual salt incorporation. The effectiveness of salt-functionalized CSCs was measured via breakthrough capacities for low concentrations of NH3 and SO2. Materials with high adsorption performance for both of these targets, representative of acidic and basic gases, were obtained with potential broad-scale, commercial applicability for a diverse set of adsorbates. In brief, the incorporation of potassium carbonate increased the alkalinity of the adsorbent thereby promoting SO2 adsorption. Similarly, the incorporation of zinc chloride increased the acidity of the adsorbent resulting in enhanced NH3 adsorption. The addition of K2CO3 and ZnCl2 on the same adsorbent was shown to consolidate high adsorption performance for both of these toxic industrial chemicals (TICs). Interestingly, upon incorporation of the two water-soluble impregnants, a reaction to form an insoluble precipitate within the substrate via in-pore synthesis occurs. This dual salt functionalization leading to the in-pore synthesis of insoluble precipitates was also performed using various combinations of metal chlorides with potassium salts. Differences in the pH of salt-incorporated substrates provided an understanding of cation and anion dependence in functionalized materials for NH3 and SO2 adsorption. With MOFs, a characterization analysis was performed to interpret the degradation (or lack thereof) of chemical bonds within the framework that were susceptible to water adsorption. Advisors/Committee Members: Peter N. Pintauro (committee member), Sandra J. Rosenthal (committee member), G. Kane Jennings (committee member), M. Douglas LeVan (Committee Chair).

Subjects/Keywords: adsorbent materials; NH3; SO2; MOFs; metal salts; CSC; MCM-41

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Barpaga, D. (2016). Synthesis and Characterization of Novel Nanoporous Materials for Acidic and Basic Gas Adsorption. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/10870

Chicago Manual of Style (16^th Edition):

Barpaga, Dushyant. “Synthesis and Characterization of Novel Nanoporous Materials for Acidic and Basic Gas Adsorption.” 2016. Doctoral Dissertation, Vanderbilt University. Accessed January 19, 2021. http://hdl.handle.net/1803/10870.

MLA Handbook (7^th Edition):

Barpaga, Dushyant. “Synthesis and Characterization of Novel Nanoporous Materials for Acidic and Basic Gas Adsorption.” 2016. Web. 19 Jan 2021.

Vancouver:

Barpaga D. Synthesis and Characterization of Novel Nanoporous Materials for Acidic and Basic Gas Adsorption. [Internet] [Doctoral dissertation]. Vanderbilt University; 2016. [cited 2021 Jan 19]. Available from: http://hdl.handle.net/1803/10870.

Council of Science Editors:

Barpaga D. Synthesis and Characterization of Novel Nanoporous Materials for Acidic and Basic Gas Adsorption. [Doctoral Dissertation]. Vanderbilt University; 2016. Available from: http://hdl.handle.net/1803/10870

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Open Access Theses and Dissertations