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You searched for subject:(First principles calculations). Showing records 1 – 30 of 59 total matches.

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University of Michigan

1. Page, Alexander. Half-Heusler Alloys as Promising Thermoelectric Materials.

Degree: PhD, Physics, 2017, University of Michigan

 This thesis describes Ph.D. research on the half-Heusler class of thermoelectric materials. Half-Heusler alloys are a versatile class of materials that have been studied for… (more)

Subjects/Keywords: First Principles Calculations; Thermoelectric Materials; Physics; Science

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APA (6th Edition):

Page, A. (2017). Half-Heusler Alloys as Promising Thermoelectric Materials. (Doctoral Dissertation). University of Michigan. Retrieved from http://hdl.handle.net/2027.42/138674

Chicago Manual of Style (16th Edition):

Page, Alexander. “Half-Heusler Alloys as Promising Thermoelectric Materials.” 2017. Doctoral Dissertation, University of Michigan. Accessed June 19, 2019. http://hdl.handle.net/2027.42/138674.

MLA Handbook (7th Edition):

Page, Alexander. “Half-Heusler Alloys as Promising Thermoelectric Materials.” 2017. Web. 19 Jun 2019.

Vancouver:

Page A. Half-Heusler Alloys as Promising Thermoelectric Materials. [Internet] [Doctoral dissertation]. University of Michigan; 2017. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/2027.42/138674.

Council of Science Editors:

Page A. Half-Heusler Alloys as Promising Thermoelectric Materials. [Doctoral Dissertation]. University of Michigan; 2017. Available from: http://hdl.handle.net/2027.42/138674


Rice University

2. Loganathan, Vaideesh. First principles approach to strongly correlated materials.

Degree: PhD, Natural Sciences, 2019, Rice University

 Theoretical studies stemming from first-principles calculations have played a crucial role in understanding the plethora of interesting properties exhibited by condensed matter systems. Density functional… (more)

Subjects/Keywords: Strongly correlated materials; first-principles calculations

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APA (6th Edition):

Loganathan, V. (2019). First principles approach to strongly correlated materials. (Doctoral Dissertation). Rice University. Retrieved from http://hdl.handle.net/1911/106009

Chicago Manual of Style (16th Edition):

Loganathan, Vaideesh. “First principles approach to strongly correlated materials.” 2019. Doctoral Dissertation, Rice University. Accessed June 19, 2019. http://hdl.handle.net/1911/106009.

MLA Handbook (7th Edition):

Loganathan, Vaideesh. “First principles approach to strongly correlated materials.” 2019. Web. 19 Jun 2019.

Vancouver:

Loganathan V. First principles approach to strongly correlated materials. [Internet] [Doctoral dissertation]. Rice University; 2019. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/1911/106009.

Council of Science Editors:

Loganathan V. First principles approach to strongly correlated materials. [Doctoral Dissertation]. Rice University; 2019. Available from: http://hdl.handle.net/1911/106009


University of Saskatchewan

3. Greschner, Michael. Prediction of structures and properties of high-pressure solid materials using first principles methods.

Degree: 2016, University of Saskatchewan

 The purpose of the research contained in this thesis is to allow for the prediction of new structures and properties of crystalline structures due to… (more)

Subjects/Keywords: Condensed matter theory; First principles calculations; Structure prediction; Density functional theory

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APA (6th Edition):

Greschner, M. (2016). Prediction of structures and properties of high-pressure solid materials using first principles methods. (Thesis). University of Saskatchewan. Retrieved from http://hdl.handle.net/10388/ETD-2016-02-2441

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

Chicago Manual of Style (16th Edition):

Greschner, Michael. “Prediction of structures and properties of high-pressure solid materials using first principles methods.” 2016. Thesis, University of Saskatchewan. Accessed June 19, 2019. http://hdl.handle.net/10388/ETD-2016-02-2441.

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

MLA Handbook (7th Edition):

Greschner, Michael. “Prediction of structures and properties of high-pressure solid materials using first principles methods.” 2016. Web. 19 Jun 2019.

Vancouver:

Greschner M. Prediction of structures and properties of high-pressure solid materials using first principles methods. [Internet] [Thesis]. University of Saskatchewan; 2016. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/10388/ETD-2016-02-2441.

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

Council of Science Editors:

Greschner M. Prediction of structures and properties of high-pressure solid materials using first principles methods. [Thesis]. University of Saskatchewan; 2016. Available from: http://hdl.handle.net/10388/ETD-2016-02-2441

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


Cornell University

4. Sundararaman, Ravishankar. Joint Density-Functional Methods For First-Principles Chemistry In Solution .

Degree: 2013, Cornell University

 Solvents play an important role in many technologically relevant chemical processes and most biological systems, but thermodynamic phase-space sampling complicates their description in ab initio… (more)

Subjects/Keywords: First principles calculations; Density functional theory; Solvation methods

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APA (6th Edition):

Sundararaman, R. (2013). Joint Density-Functional Methods For First-Principles Chemistry In Solution . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/34345

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

Chicago Manual of Style (16th Edition):

Sundararaman, Ravishankar. “Joint Density-Functional Methods For First-Principles Chemistry In Solution .” 2013. Thesis, Cornell University. Accessed June 19, 2019. http://hdl.handle.net/1813/34345.

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

MLA Handbook (7th Edition):

Sundararaman, Ravishankar. “Joint Density-Functional Methods For First-Principles Chemistry In Solution .” 2013. Web. 19 Jun 2019.

Vancouver:

Sundararaman R. Joint Density-Functional Methods For First-Principles Chemistry In Solution . [Internet] [Thesis]. Cornell University; 2013. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/1813/34345.

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

Council of Science Editors:

Sundararaman R. Joint Density-Functional Methods For First-Principles Chemistry In Solution . [Thesis]. Cornell University; 2013. Available from: http://hdl.handle.net/1813/34345

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


NSYSU

5. Hong , Shih-han. Topologically electronic properties of hydrogenated arsenic in honeycomb structuresï¼a first-principles study.

Degree: Master, Physics, 2014, NSYSU

 We use first-principles electronic structure calculations to predict a new class of two-dimensional (2D) topological insulators (TIs) in hydrogenated arsenic honeycomb structures. Single bilayer of… (more)

Subjects/Keywords: Topological phase transition; First-principles calculations; Hydrogenated; Electronic structures; As(111); 2D topological insulators

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APA (6th Edition):

Hong , S. (2014). Topologically electronic properties of hydrogenated arsenic in honeycomb structuresï¼a first-principles study. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0805114-141007

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

Chicago Manual of Style (16th Edition):

Hong , Shih-han. “Topologically electronic properties of hydrogenated arsenic in honeycomb structuresï¼a first-principles study.” 2014. Thesis, NSYSU. Accessed June 19, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0805114-141007.

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

MLA Handbook (7th Edition):

Hong , Shih-han. “Topologically electronic properties of hydrogenated arsenic in honeycomb structuresï¼a first-principles study.” 2014. Web. 19 Jun 2019.

Vancouver:

Hong S. Topologically electronic properties of hydrogenated arsenic in honeycomb structuresï¼a first-principles study. [Internet] [Thesis]. NSYSU; 2014. [cited 2019 Jun 19]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0805114-141007.

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

Council of Science Editors:

Hong S. Topologically electronic properties of hydrogenated arsenic in honeycomb structuresï¼a first-principles study. [Thesis]. NSYSU; 2014. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0805114-141007

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


NSYSU

6. Chen, Sung-Ping. Prediction of Quantum Anomalous Hall Insulator in Functionalized GaBi Honeycomb.

Degree: Master, Physics, 2016, NSYSU

 Using first-principles electronic structure calculations, we predict half-fluorinated GaBi honeycomb under tensile strain to harbor quantum anomalous hall (QAH) insulating phases. A single band inversion… (more)

Subjects/Keywords: First-principles calculations; Band structure; Quantum anomalous Hall effect; Topological phase transition; GaBi honeycomb

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APA (6th Edition):

Chen, S. (2016). Prediction of Quantum Anomalous Hall Insulator in Functionalized GaBi Honeycomb. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613116-024136

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

Chicago Manual of Style (16th Edition):

Chen, Sung-Ping. “Prediction of Quantum Anomalous Hall Insulator in Functionalized GaBi Honeycomb.” 2016. Thesis, NSYSU. Accessed June 19, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613116-024136.

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

MLA Handbook (7th Edition):

Chen, Sung-Ping. “Prediction of Quantum Anomalous Hall Insulator in Functionalized GaBi Honeycomb.” 2016. Web. 19 Jun 2019.

Vancouver:

Chen S. Prediction of Quantum Anomalous Hall Insulator in Functionalized GaBi Honeycomb. [Internet] [Thesis]. NSYSU; 2016. [cited 2019 Jun 19]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613116-024136.

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

Council of Science Editors:

Chen S. Prediction of Quantum Anomalous Hall Insulator in Functionalized GaBi Honeycomb. [Thesis]. NSYSU; 2016. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0613116-024136

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


Virginia Tech

7. Venkatapathi, Sarankumar. Temperature effects on the electronic properties of lead telluride (PbTe) and the influence of nano-size precipitates on the performance of thermoelectric materials. (SrTe precipitates in PbTe bulk material).

Degree: MS, Mechanical Engineering, 2013, Virginia Tech

 This study seeks to evaluate the temperature effects on the electronic properties of thermoelectric materials, using first principles Density Functional Theory (DFT) calculations by incorporating… (more)

Subjects/Keywords: First-principles calculations; charge carrier effective mass; scattering relaxation time; semiconductor band alignment

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APA (6th Edition):

Venkatapathi, S. (2013). Temperature effects on the electronic properties of lead telluride (PbTe) and the influence of nano-size precipitates on the performance of thermoelectric materials. (SrTe precipitates in PbTe bulk material). (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/51947

Chicago Manual of Style (16th Edition):

Venkatapathi, Sarankumar. “Temperature effects on the electronic properties of lead telluride (PbTe) and the influence of nano-size precipitates on the performance of thermoelectric materials. (SrTe precipitates in PbTe bulk material).” 2013. Masters Thesis, Virginia Tech. Accessed June 19, 2019. http://hdl.handle.net/10919/51947.

MLA Handbook (7th Edition):

Venkatapathi, Sarankumar. “Temperature effects on the electronic properties of lead telluride (PbTe) and the influence of nano-size precipitates on the performance of thermoelectric materials. (SrTe precipitates in PbTe bulk material).” 2013. Web. 19 Jun 2019.

Vancouver:

Venkatapathi S. Temperature effects on the electronic properties of lead telluride (PbTe) and the influence of nano-size precipitates on the performance of thermoelectric materials. (SrTe precipitates in PbTe bulk material). [Internet] [Masters thesis]. Virginia Tech; 2013. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/10919/51947.

Council of Science Editors:

Venkatapathi S. Temperature effects on the electronic properties of lead telluride (PbTe) and the influence of nano-size precipitates on the performance of thermoelectric materials. (SrTe precipitates in PbTe bulk material). [Masters Thesis]. Virginia Tech; 2013. Available from: http://hdl.handle.net/10919/51947


Texas A&M University

8. Duong, Thien Chi. Integrated Computational Materials Science and Engineering for The Research and Development of Gen-IV Metallic Fuels: Application to Uranium-Niobium.

Degree: 2015, Texas A&M University

 The concept of Integrated Computational Materials Science and Engineering (ICMSE) has emerged due to the need to accelerate the process of materials research and development… (more)

Subjects/Keywords: First-principles calculations; CALPHAD; phase-field modeling; multi-scale modeling; ICME; metallic fuels

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APA (6th Edition):

Duong, T. C. (2015). Integrated Computational Materials Science and Engineering for The Research and Development of Gen-IV Metallic Fuels: Application to Uranium-Niobium. (Thesis). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/156509

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

Chicago Manual of Style (16th Edition):

Duong, Thien Chi. “Integrated Computational Materials Science and Engineering for The Research and Development of Gen-IV Metallic Fuels: Application to Uranium-Niobium.” 2015. Thesis, Texas A&M University. Accessed June 19, 2019. http://hdl.handle.net/1969.1/156509.

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

MLA Handbook (7th Edition):

Duong, Thien Chi. “Integrated Computational Materials Science and Engineering for The Research and Development of Gen-IV Metallic Fuels: Application to Uranium-Niobium.” 2015. Web. 19 Jun 2019.

Vancouver:

Duong TC. Integrated Computational Materials Science and Engineering for The Research and Development of Gen-IV Metallic Fuels: Application to Uranium-Niobium. [Internet] [Thesis]. Texas A&M University; 2015. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/1969.1/156509.

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

Council of Science Editors:

Duong TC. Integrated Computational Materials Science and Engineering for The Research and Development of Gen-IV Metallic Fuels: Application to Uranium-Niobium. [Thesis]. Texas A&M University; 2015. Available from: http://hdl.handle.net/1969.1/156509

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


Bowling Green State University

9. Lamichhane, Aneer. Quantum-mechanical Ab-initio Calculations of the Properties of Wurtzite ZnO and its Native Oxygen Point Defects.

Degree: MS, Physics, 2018, Bowling Green State University

 ZnO is an abundant wide band gap semiconductor with promising applications in optoelectronic technologies. Electronic and optical properties of this material depend critically on the… (more)

Subjects/Keywords: Physics; First-principles calculations; Pristine ZnO and its native oxygen point defects; GGA-PBE

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APA (6th Edition):

Lamichhane, A. (2018). Quantum-mechanical Ab-initio Calculations of the Properties of Wurtzite ZnO and its Native Oxygen Point Defects. (Masters Thesis). Bowling Green State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=bgsu153052961628062

Chicago Manual of Style (16th Edition):

Lamichhane, Aneer. “Quantum-mechanical Ab-initio Calculations of the Properties of Wurtzite ZnO and its Native Oxygen Point Defects.” 2018. Masters Thesis, Bowling Green State University. Accessed June 19, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu153052961628062.

MLA Handbook (7th Edition):

Lamichhane, Aneer. “Quantum-mechanical Ab-initio Calculations of the Properties of Wurtzite ZnO and its Native Oxygen Point Defects.” 2018. Web. 19 Jun 2019.

Vancouver:

Lamichhane A. Quantum-mechanical Ab-initio Calculations of the Properties of Wurtzite ZnO and its Native Oxygen Point Defects. [Internet] [Masters thesis]. Bowling Green State University; 2018. [cited 2019 Jun 19]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=bgsu153052961628062.

Council of Science Editors:

Lamichhane A. Quantum-mechanical Ab-initio Calculations of the Properties of Wurtzite ZnO and its Native Oxygen Point Defects. [Masters Thesis]. Bowling Green State University; 2018. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=bgsu153052961628062


University of Texas – Austin

10. Kweon, Kyoung Eun, 1981-. First principles study of point-like defects and impurities in silicon, carbon, and oxide materials.

Degree: Electrical and Computer Engineering, 2012, University of Texas – Austin

 Since materials properties are determined by the interactions between the constituent atoms, an accurate description of the inter-atomic interactions is crucial to characterize and control… (more)

Subjects/Keywords: First principles density functional calculations; Defects and impurities; Silicon; sp2-bonded carbon; Bismuth vanadate

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APA (6th Edition):

Kweon, Kyoung Eun, 1. (2012). First principles study of point-like defects and impurities in silicon, carbon, and oxide materials. (Thesis). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/23460

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

Chicago Manual of Style (16th Edition):

Kweon, Kyoung Eun, 1981-. “First principles study of point-like defects and impurities in silicon, carbon, and oxide materials.” 2012. Thesis, University of Texas – Austin. Accessed June 19, 2019. http://hdl.handle.net/2152/23460.

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

MLA Handbook (7th Edition):

Kweon, Kyoung Eun, 1981-. “First principles study of point-like defects and impurities in silicon, carbon, and oxide materials.” 2012. Web. 19 Jun 2019.

Vancouver:

Kweon, Kyoung Eun 1. First principles study of point-like defects and impurities in silicon, carbon, and oxide materials. [Internet] [Thesis]. University of Texas – Austin; 2012. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/2152/23460.

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

Council of Science Editors:

Kweon, Kyoung Eun 1. First principles study of point-like defects and impurities in silicon, carbon, and oxide materials. [Thesis]. University of Texas – Austin; 2012. Available from: http://hdl.handle.net/2152/23460

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


University of Minnesota

11. da Silveira, Pedro Rodrigo Castro. VLab: a science gateway for distributed first principles calculations in heterogeneous high performance computing systems.

Degree: PhD, Scientific Computation, 2014, University of Minnesota

 This thesis describes the development and deployment of a cyberinfrastructure for distributed high-throughput computations of materials properties at high pressures and/or temperatures - the Virtual… (more)

Subjects/Keywords: First principles calculations; Heterogeneous high performance; Science gateway; Service oriented architecture; web portal; web services

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APA (6th Edition):

da Silveira, P. R. C. (2014). VLab: a science gateway for distributed first principles calculations in heterogeneous high performance computing systems. (Doctoral Dissertation). University of Minnesota. Retrieved from http://hdl.handle.net/11299/162822

Chicago Manual of Style (16th Edition):

da Silveira, Pedro Rodrigo Castro. “VLab: a science gateway for distributed first principles calculations in heterogeneous high performance computing systems.” 2014. Doctoral Dissertation, University of Minnesota. Accessed June 19, 2019. http://hdl.handle.net/11299/162822.

MLA Handbook (7th Edition):

da Silveira, Pedro Rodrigo Castro. “VLab: a science gateway for distributed first principles calculations in heterogeneous high performance computing systems.” 2014. Web. 19 Jun 2019.

Vancouver:

da Silveira PRC. VLab: a science gateway for distributed first principles calculations in heterogeneous high performance computing systems. [Internet] [Doctoral dissertation]. University of Minnesota; 2014. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/11299/162822.

Council of Science Editors:

da Silveira PRC. VLab: a science gateway for distributed first principles calculations in heterogeneous high performance computing systems. [Doctoral Dissertation]. University of Minnesota; 2014. Available from: http://hdl.handle.net/11299/162822


Kyoto University / 京都大学

12. Xu, Tao. Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering : 格子欠陥の工学利用による非磁性強誘電体中の低次元原子スケールマルチフェロイクス.

Degree: 博士(工学), 2017, Kyoto University / 京都大学

新制・課程博士

甲第20699号

工博第4396号

Subjects/Keywords: Multiferroics; Lattice defects; Ferroelectrics; Nonstoichiometry; First-principles calculations

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APA (6th Edition):

Xu, T. (2017). Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering : 格子欠陥の工学利用による非磁性強誘電体中の低次元原子スケールマルチフェロイクス. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/227622 ; http://dx.doi.org/10.14989/doctor.k20699

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

Chicago Manual of Style (16th Edition):

Xu, Tao. “Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering : 格子欠陥の工学利用による非磁性強誘電体中の低次元原子スケールマルチフェロイクス.” 2017. Thesis, Kyoto University / 京都大学. Accessed June 19, 2019. http://hdl.handle.net/2433/227622 ; http://dx.doi.org/10.14989/doctor.k20699.

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

MLA Handbook (7th Edition):

Xu, Tao. “Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering : 格子欠陥の工学利用による非磁性強誘電体中の低次元原子スケールマルチフェロイクス.” 2017. Web. 19 Jun 2019.

Vancouver:

Xu T. Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering : 格子欠陥の工学利用による非磁性強誘電体中の低次元原子スケールマルチフェロイクス. [Internet] [Thesis]. Kyoto University / 京都大学; 2017. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/2433/227622 ; http://dx.doi.org/10.14989/doctor.k20699.

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

Council of Science Editors:

Xu T. Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering : 格子欠陥の工学利用による非磁性強誘電体中の低次元原子スケールマルチフェロイクス. [Thesis]. Kyoto University / 京都大学; 2017. Available from: http://hdl.handle.net/2433/227622 ; http://dx.doi.org/10.14989/doctor.k20699

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


Aristotle University Of Thessaloniki (AUTH); Αριστοτέλειο Πανεπιστήμιο Θεσσαλονίκης (ΑΠΘ)

13. Volonakis, George. Θεωρητική μελέτη οργανικών υλικών και της αλληλεπίδρασης οργανικών και ανόργανων υλικών για το σχηματισμό ετεροδομών και ιδιότητές τους.

Degree: 2013, Aristotle University Of Thessaloniki (AUTH); Αριστοτέλειο Πανεπιστήμιο Θεσσαλονίκης (ΑΠΘ)

 In this dissertation first-principles calculations are applied to study organic semiconductors (OS) and their interaction with inorganic materials. At first, different state-of-the-art Density Functional Theory… (more)

Subjects/Keywords: Οργανικά ηλεκτρονικά; Υπολογισμοί πρώτων αρχών; Οργανικοί ημιαγωγοί; Ηλεκτρονικές ιδιότητες; Organic electronics; First-principles calculations; Organic semiconductors; Electronic properties

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APA (6th Edition):

Volonakis, G. (2013). Θεωρητική μελέτη οργανικών υλικών και της αλληλεπίδρασης οργανικών και ανόργανων υλικών για το σχηματισμό ετεροδομών και ιδιότητές τους. (Thesis). Aristotle University Of Thessaloniki (AUTH); Αριστοτέλειο Πανεπιστήμιο Θεσσαλονίκης (ΑΠΘ). Retrieved from http://hdl.handle.net/10442/hedi/36975

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

Chicago Manual of Style (16th Edition):

Volonakis, George. “Θεωρητική μελέτη οργανικών υλικών και της αλληλεπίδρασης οργανικών και ανόργανων υλικών για το σχηματισμό ετεροδομών και ιδιότητές τους.” 2013. Thesis, Aristotle University Of Thessaloniki (AUTH); Αριστοτέλειο Πανεπιστήμιο Θεσσαλονίκης (ΑΠΘ). Accessed June 19, 2019. http://hdl.handle.net/10442/hedi/36975.

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

MLA Handbook (7th Edition):

Volonakis, George. “Θεωρητική μελέτη οργανικών υλικών και της αλληλεπίδρασης οργανικών και ανόργανων υλικών για το σχηματισμό ετεροδομών και ιδιότητές τους.” 2013. Web. 19 Jun 2019.

Vancouver:

Volonakis G. Θεωρητική μελέτη οργανικών υλικών και της αλληλεπίδρασης οργανικών και ανόργανων υλικών για το σχηματισμό ετεροδομών και ιδιότητές τους. [Internet] [Thesis]. Aristotle University Of Thessaloniki (AUTH); Αριστοτέλειο Πανεπιστήμιο Θεσσαλονίκης (ΑΠΘ); 2013. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/10442/hedi/36975.

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

Council of Science Editors:

Volonakis G. Θεωρητική μελέτη οργανικών υλικών και της αλληλεπίδρασης οργανικών και ανόργανων υλικών για το σχηματισμό ετεροδομών και ιδιότητές τους. [Thesis]. Aristotle University Of Thessaloniki (AUTH); Αριστοτέλειο Πανεπιστήμιο Θεσσαλονίκης (ΑΠΘ); 2013. Available from: http://hdl.handle.net/10442/hedi/36975

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


NSYSU

14. CHOU, BO-HUNG. Topologically electronic properties of tin thin filmsï¼a first-principles study.

Degree: Master, Physics, 2014, NSYSU

 We use first-principles electronic structure calculations to predict a new class of two-dimensional (2D) topological insulators (TIs) in hydrogenated ultra-thin tin films. Single bilayer tin… (more)

Subjects/Keywords: First-principles calculations; Electronic structures; Quantum spin Hall effect; Tin thin films; Topological phase transition; 2D topological insulators

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

APA (6th Edition):

CHOU, B. (2014). Topologically electronic properties of tin thin filmsï¼a first-principles study. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0528114-221549

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

Chicago Manual of Style (16th Edition):

CHOU, BO-HUNG. “Topologically electronic properties of tin thin filmsï¼a first-principles study.” 2014. Thesis, NSYSU. Accessed June 19, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0528114-221549.

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

MLA Handbook (7th Edition):

CHOU, BO-HUNG. “Topologically electronic properties of tin thin filmsï¼a first-principles study.” 2014. Web. 19 Jun 2019.

Vancouver:

CHOU B. Topologically electronic properties of tin thin filmsï¼a first-principles study. [Internet] [Thesis]. NSYSU; 2014. [cited 2019 Jun 19]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0528114-221549.

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

Council of Science Editors:

CHOU B. Topologically electronic properties of tin thin filmsï¼a first-principles study. [Thesis]. NSYSU; 2014. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0528114-221549

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


NSYSU

15. Chu, Kuan-wei. DFT study on the electronic properties of layeredly doped ZnO.

Degree: Master, Physics, 2016, NSYSU

 Using first-principles calculations, this work explored the electronic properties of multi-layer aluminum-doped wurtzite zinc oxide (ZnO) up to 3 monolayers. Previous studies have shown ion… (more)

Subjects/Keywords: first-principles calculations; density functional theory (DFT); ZnO; atomic layer deposition (ALD); aluminum; intermediate band (IB); doping

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

APA (6th Edition):

Chu, K. (2016). DFT study on the electronic properties of layeredly doped ZnO. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0705116-145219

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

Chicago Manual of Style (16th Edition):

Chu, Kuan-wei. “DFT study on the electronic properties of layeredly doped ZnO.” 2016. Thesis, NSYSU. Accessed June 19, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0705116-145219.

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

MLA Handbook (7th Edition):

Chu, Kuan-wei. “DFT study on the electronic properties of layeredly doped ZnO.” 2016. Web. 19 Jun 2019.

Vancouver:

Chu K. DFT study on the electronic properties of layeredly doped ZnO. [Internet] [Thesis]. NSYSU; 2016. [cited 2019 Jun 19]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0705116-145219.

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

Council of Science Editors:

Chu K. DFT study on the electronic properties of layeredly doped ZnO. [Thesis]. NSYSU; 2016. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0705116-145219

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


NSYSU

16. Liu, Yu-Tzu. First-Principles Studies of 2D Topological Insulators on Semiconducting Substrates.

Degree: Master, Physics, 2013, NSYSU

 Recent studies have shown that the single Bi and Sb bilayers are two dimensional topological insulators (2D TIs) under strains. In this study, electronic structures… (more)

Subjects/Keywords: Bi(111); Sb(111); single bilayer; first-principles calculations; antimony; hexagonal-BN; bismuth; Topological Insulator; Kohn-Sham; nontrivial state

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APA (6th Edition):

Liu, Y. (2013). First-Principles Studies of 2D Topological Insulators on Semiconducting Substrates. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0623113-160845

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

Chicago Manual of Style (16th Edition):

Liu, Yu-Tzu. “First-Principles Studies of 2D Topological Insulators on Semiconducting Substrates.” 2013. Thesis, NSYSU. Accessed June 19, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0623113-160845.

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

MLA Handbook (7th Edition):

Liu, Yu-Tzu. “First-Principles Studies of 2D Topological Insulators on Semiconducting Substrates.” 2013. Web. 19 Jun 2019.

Vancouver:

Liu Y. First-Principles Studies of 2D Topological Insulators on Semiconducting Substrates. [Internet] [Thesis]. NSYSU; 2013. [cited 2019 Jun 19]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0623113-160845.

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

Council of Science Editors:

Liu Y. First-Principles Studies of 2D Topological Insulators on Semiconducting Substrates. [Thesis]. NSYSU; 2013. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0623113-160845

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


NSYSU

17. Yao, Liang-Zi. Prediction of large gap two-dimensional topological insulators consisting of bilayers of group III elements with Bi.

Degree: Master, Physics, 2014, NSYSU

 We use first-principles electronic structure calculations to predict a new class of two-dimensional (2D) topological insulators (TIs) in binary compositions of group III elements (B,… (more)

Subjects/Keywords: Topological phase transition; First-principles calculations; Quantum spin Hall effect; 2D topological insulators; Electronic structures; III-V semiconductor thin films

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APA (6th Edition):

Yao, L. (2014). Prediction of large gap two-dimensional topological insulators consisting of bilayers of group III elements with Bi. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0802114-172916

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

Chicago Manual of Style (16th Edition):

Yao, Liang-Zi. “Prediction of large gap two-dimensional topological insulators consisting of bilayers of group III elements with Bi.” 2014. Thesis, NSYSU. Accessed June 19, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0802114-172916.

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

MLA Handbook (7th Edition):

Yao, Liang-Zi. “Prediction of large gap two-dimensional topological insulators consisting of bilayers of group III elements with Bi.” 2014. Web. 19 Jun 2019.

Vancouver:

Yao L. Prediction of large gap two-dimensional topological insulators consisting of bilayers of group III elements with Bi. [Internet] [Thesis]. NSYSU; 2014. [cited 2019 Jun 19]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0802114-172916.

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

Council of Science Editors:

Yao L. Prediction of large gap two-dimensional topological insulators consisting of bilayers of group III elements with Bi. [Thesis]. NSYSU; 2014. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0802114-172916

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


NSYSU

18. Yeh, Chun-chen. Realization of Topological Insulators in III-Bi Thin Films.

Degree: Master, Physics, 2015, NSYSU

 Previous studies have explored the electronic and topological properties of group III-V in buckled honeycombs and revealed that this group of materials exhibits nontrivial insulating… (more)

Subjects/Keywords: Topological phase transition; First-principles calculations; Quantum spin Hall effect; III-Bi thin films; 2D topological insulators

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APA (6th Edition):

Yeh, C. (2015). Realization of Topological Insulators in III-Bi Thin Films. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0515115-162207

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

Chicago Manual of Style (16th Edition):

Yeh, Chun-chen. “Realization of Topological Insulators in III-Bi Thin Films.” 2015. Thesis, NSYSU. Accessed June 19, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0515115-162207.

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

MLA Handbook (7th Edition):

Yeh, Chun-chen. “Realization of Topological Insulators in III-Bi Thin Films.” 2015. Web. 19 Jun 2019.

Vancouver:

Yeh C. Realization of Topological Insulators in III-Bi Thin Films. [Internet] [Thesis]. NSYSU; 2015. [cited 2019 Jun 19]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0515115-162207.

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

Council of Science Editors:

Yeh C. Realization of Topological Insulators in III-Bi Thin Films. [Thesis]. NSYSU; 2015. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0515115-162207

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


NSYSU

19. Crisostomo, Christian Portales. Study of Electronic Structures and Topological Properties in Hydrogenated III-V Buckled Honeycombs.

Degree: Master, Physics, 2015, NSYSU

 A large gap two-dimensional (2D) topological insulator (TI), also known as quantum spin Hall (QSH) insulator, is highly desired for low-power-consumption electronic devices, owing to… (more)

Subjects/Keywords: Quantum spin Hall effect; First-principles calculations; 2D topological insulators; Topological phase transition; Electronic structures; III-V thin films

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APA (6th Edition):

Crisostomo, C. P. (2015). Study of Electronic Structures and Topological Properties in Hydrogenated III-V Buckled Honeycombs. (Thesis). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0515115-173452

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

Chicago Manual of Style (16th Edition):

Crisostomo, Christian Portales. “Study of Electronic Structures and Topological Properties in Hydrogenated III-V Buckled Honeycombs.” 2015. Thesis, NSYSU. Accessed June 19, 2019. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0515115-173452.

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

MLA Handbook (7th Edition):

Crisostomo, Christian Portales. “Study of Electronic Structures and Topological Properties in Hydrogenated III-V Buckled Honeycombs.” 2015. Web. 19 Jun 2019.

Vancouver:

Crisostomo CP. Study of Electronic Structures and Topological Properties in Hydrogenated III-V Buckled Honeycombs. [Internet] [Thesis]. NSYSU; 2015. [cited 2019 Jun 19]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0515115-173452.

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

Council of Science Editors:

Crisostomo CP. Study of Electronic Structures and Topological Properties in Hydrogenated III-V Buckled Honeycombs. [Thesis]. NSYSU; 2015. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0515115-173452

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


Kyoto University

20. Xu, Tao. Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering .

Degree: 2017, Kyoto University

Subjects/Keywords: Multiferroics; Lattice defects; Ferroelectrics; Nonstoichiometry; First-principles calculations

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APA (6th Edition):

Xu, T. (2017). Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering . (Thesis). Kyoto University. Retrieved from http://hdl.handle.net/2433/227622

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

Chicago Manual of Style (16th Edition):

Xu, Tao. “Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering .” 2017. Thesis, Kyoto University. Accessed June 19, 2019. http://hdl.handle.net/2433/227622.

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

MLA Handbook (7th Edition):

Xu, Tao. “Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering .” 2017. Web. 19 Jun 2019.

Vancouver:

Xu T. Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering . [Internet] [Thesis]. Kyoto University; 2017. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/2433/227622.

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

Council of Science Editors:

Xu T. Low-dimensional atomic-scale multiferroics in nonmagnetic ferroelectrics from lattice defects engineering . [Thesis]. Kyoto University; 2017. Available from: http://hdl.handle.net/2433/227622

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


University of California – San Diego

21. Wang, Zhenbin. Design and Optimization of Phosphors for Solid-State Lighting using First-Principles Calculations.

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

 The discovery of novel phosphors is key to the development of highly efficient and environmental friendly light-emitting diodes (LED)-based solid-state lighting. This discovery, however, has… (more)

Subjects/Keywords: Materials Science; first-principles calculations; high-throughput screening; luminescent materials; phosphor-converted LEDs; phosphors; solid state lighting

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APA (6th Edition):

Wang, Z. (2018). Design and Optimization of Phosphors for Solid-State Lighting using First-Principles Calculations. (Thesis). University of California – San Diego. Retrieved from http://www.escholarship.org/uc/item/3bk0q0qt

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

Chicago Manual of Style (16th Edition):

Wang, Zhenbin. “Design and Optimization of Phosphors for Solid-State Lighting using First-Principles Calculations.” 2018. Thesis, University of California – San Diego. Accessed June 19, 2019. http://www.escholarship.org/uc/item/3bk0q0qt.

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

MLA Handbook (7th Edition):

Wang, Zhenbin. “Design and Optimization of Phosphors for Solid-State Lighting using First-Principles Calculations.” 2018. Web. 19 Jun 2019.

Vancouver:

Wang Z. Design and Optimization of Phosphors for Solid-State Lighting using First-Principles Calculations. [Internet] [Thesis]. University of California – San Diego; 2018. [cited 2019 Jun 19]. Available from: http://www.escholarship.org/uc/item/3bk0q0qt.

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

Council of Science Editors:

Wang Z. Design and Optimization of Phosphors for Solid-State Lighting using First-Principles Calculations. [Thesis]. University of California – San Diego; 2018. Available from: http://www.escholarship.org/uc/item/3bk0q0qt

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


Linköping University

22. Gidby, Marcus. Defects in ceria.

Degree: Chemistry and Biology, 2009, Linköping University

  The solid oxide fuel cell (SOFC) technology has been under research since thelate 1950s, and most of the research has been on designs utilizing… (more)

Subjects/Keywords: ceria; cerium dioxide; frenkel defects; oxygen defects; SOFC; DFT; density functional theory; first principles calculations; LDA+U; VASP; Computational physics; Beräkningsfysik

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APA (6th Edition):

Gidby, M. (2009). Defects in ceria. (Thesis). Linköping University. Retrieved from http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-17576

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

Chicago Manual of Style (16th Edition):

Gidby, Marcus. “Defects in ceria.” 2009. Thesis, Linköping University. Accessed June 19, 2019. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-17576.

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

MLA Handbook (7th Edition):

Gidby, Marcus. “Defects in ceria.” 2009. Web. 19 Jun 2019.

Vancouver:

Gidby M. Defects in ceria. [Internet] [Thesis]. Linköping University; 2009. [cited 2019 Jun 19]. Available from: http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-17576.

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

Council of Science Editors:

Gidby M. Defects in ceria. [Thesis]. Linköping University; 2009. Available from: http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-17576

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


University of South Florida

23. Adamska, Lyudmyla. Theory and Modeling of Graphene and Single Molecule Devices.

Degree: 2012, University of South Florida

 This dissertation research is focused on first principles studies of graphene and single organic molecules for nanoelectronics applications. These nanosized objects attracted considerable interest from… (more)

Subjects/Keywords: First principles density functional theory calculations; Graphene defects; Graphene/metal interfaces; Nanoelectronics; Resonant charge transport; Materials Science and Engineering; Physics

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APA (6th Edition):

Adamska, L. (2012). Theory and Modeling of Graphene and Single Molecule Devices. (Thesis). University of South Florida. Retrieved from https://scholarcommons.usf.edu/etd/4272

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

Chicago Manual of Style (16th Edition):

Adamska, Lyudmyla. “Theory and Modeling of Graphene and Single Molecule Devices.” 2012. Thesis, University of South Florida. Accessed June 19, 2019. https://scholarcommons.usf.edu/etd/4272.

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

MLA Handbook (7th Edition):

Adamska, Lyudmyla. “Theory and Modeling of Graphene and Single Molecule Devices.” 2012. Web. 19 Jun 2019.

Vancouver:

Adamska L. Theory and Modeling of Graphene and Single Molecule Devices. [Internet] [Thesis]. University of South Florida; 2012. [cited 2019 Jun 19]. Available from: https://scholarcommons.usf.edu/etd/4272.

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

Council of Science Editors:

Adamska L. Theory and Modeling of Graphene and Single Molecule Devices. [Thesis]. University of South Florida; 2012. Available from: https://scholarcommons.usf.edu/etd/4272

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


University of California – San Diego

24. Cheng, Jianli. First-Principles Study of Two-Dimensional Electron Gas in Perovskite Oxide Heterostructures.

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

 Two-dimensional electron gas (2DEG) formed at the interface between two insulating perovskite oxides has provided a versatile playground to explore emergent interfacial electronic and magnetic… (more)

Subjects/Keywords: Materials Science; Computational physics; Condensed matter physics; complex oxide heterostructure; first-principles calculations; two-dimensional electron gas

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APA (6th Edition):

Cheng, J. (2018). First-Principles Study of Two-Dimensional Electron Gas in Perovskite Oxide Heterostructures. (Thesis). University of California – San Diego. Retrieved from http://www.escholarship.org/uc/item/6964v673

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

Chicago Manual of Style (16th Edition):

Cheng, Jianli. “First-Principles Study of Two-Dimensional Electron Gas in Perovskite Oxide Heterostructures.” 2018. Thesis, University of California – San Diego. Accessed June 19, 2019. http://www.escholarship.org/uc/item/6964v673.

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

MLA Handbook (7th Edition):

Cheng, Jianli. “First-Principles Study of Two-Dimensional Electron Gas in Perovskite Oxide Heterostructures.” 2018. Web. 19 Jun 2019.

Vancouver:

Cheng J. First-Principles Study of Two-Dimensional Electron Gas in Perovskite Oxide Heterostructures. [Internet] [Thesis]. University of California – San Diego; 2018. [cited 2019 Jun 19]. Available from: http://www.escholarship.org/uc/item/6964v673.

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

Council of Science Editors:

Cheng J. First-Principles Study of Two-Dimensional Electron Gas in Perovskite Oxide Heterostructures. [Thesis]. University of California – San Diego; 2018. Available from: http://www.escholarship.org/uc/item/6964v673

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


University of Central Florida

25. Zuluaga, Sebastian. Computational Approach To The Problems Of Electro- And Photo-catalysis.

Degree: 2013, University of Central Florida

 The main objective of this work is to gain basis for rational design of catalysts used in fuel cells for conversion of chemical energy stored… (more)

Subjects/Keywords: First principles calculations; electro catalysis; photo catalysis; oxygen reduction reaction; Physics; Dissertations, Academic  – Sciences, Sciences  – Dissertations, Academic

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APA (6th Edition):

Zuluaga, S. (2013). Computational Approach To The Problems Of Electro- And Photo-catalysis. (Doctoral Dissertation). University of Central Florida. Retrieved from https://stars.library.ucf.edu/etd/2812

Chicago Manual of Style (16th Edition):

Zuluaga, Sebastian. “Computational Approach To The Problems Of Electro- And Photo-catalysis.” 2013. Doctoral Dissertation, University of Central Florida. Accessed June 19, 2019. https://stars.library.ucf.edu/etd/2812.

MLA Handbook (7th Edition):

Zuluaga, Sebastian. “Computational Approach To The Problems Of Electro- And Photo-catalysis.” 2013. Web. 19 Jun 2019.

Vancouver:

Zuluaga S. Computational Approach To The Problems Of Electro- And Photo-catalysis. [Internet] [Doctoral dissertation]. University of Central Florida; 2013. [cited 2019 Jun 19]. Available from: https://stars.library.ucf.edu/etd/2812.

Council of Science Editors:

Zuluaga S. Computational Approach To The Problems Of Electro- And Photo-catalysis. [Doctoral Dissertation]. University of Central Florida; 2013. Available from: https://stars.library.ucf.edu/etd/2812


University of California – Berkeley

26. Cao, Ting. Understanding and Controlling the Optical Properties of Quasi Two-Dimensional Materials.

Degree: Physics, 2018, University of California – Berkeley

 In this thesis, I discuss the understanding and control of the optical properties of quasi-two-dimensional materials, an emerging field since the discovery of graphene. This… (more)

Subjects/Keywords: Condensed matter physics; Materials Science; Excitons; First-principles calculations; Topology; Two-dimensional materials; Valleytronics; Van der Waals systems

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APA (6th Edition):

Cao, T. (2018). Understanding and Controlling the Optical Properties of Quasi Two-Dimensional Materials. (Thesis). University of California – Berkeley. Retrieved from http://www.escholarship.org/uc/item/1g99q98r

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

Chicago Manual of Style (16th Edition):

Cao, Ting. “Understanding and Controlling the Optical Properties of Quasi Two-Dimensional Materials.” 2018. Thesis, University of California – Berkeley. Accessed June 19, 2019. http://www.escholarship.org/uc/item/1g99q98r.

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

MLA Handbook (7th Edition):

Cao, Ting. “Understanding and Controlling the Optical Properties of Quasi Two-Dimensional Materials.” 2018. Web. 19 Jun 2019.

Vancouver:

Cao T. Understanding and Controlling the Optical Properties of Quasi Two-Dimensional Materials. [Internet] [Thesis]. University of California – Berkeley; 2018. [cited 2019 Jun 19]. Available from: http://www.escholarship.org/uc/item/1g99q98r.

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

Council of Science Editors:

Cao T. Understanding and Controlling the Optical Properties of Quasi Two-Dimensional Materials. [Thesis]. University of California – Berkeley; 2018. Available from: http://www.escholarship.org/uc/item/1g99q98r

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

27. LINGHU JIAJUN. FIRST-PRINCIPLES STUDY ON SI24 AND 2D MATERIAL HETEROSTRUCTURES FOR SOLAR CELL APPLICATIONS.

Degree: 2017, National University of Singapore

Subjects/Keywords: First-principles calculations; Si24; 2D material heterostructure; solar cell

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APA (6th Edition):

JIAJUN, L. (2017). FIRST-PRINCIPLES STUDY ON SI24 AND 2D MATERIAL HETEROSTRUCTURES FOR SOLAR CELL APPLICATIONS. (Thesis). National University of Singapore. Retrieved from http://scholarbank.nus.edu.sg/handle/10635/139091

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

Chicago Manual of Style (16th Edition):

JIAJUN, LINGHU. “FIRST-PRINCIPLES STUDY ON SI24 AND 2D MATERIAL HETEROSTRUCTURES FOR SOLAR CELL APPLICATIONS.” 2017. Thesis, National University of Singapore. Accessed June 19, 2019. http://scholarbank.nus.edu.sg/handle/10635/139091.

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

MLA Handbook (7th Edition):

JIAJUN, LINGHU. “FIRST-PRINCIPLES STUDY ON SI24 AND 2D MATERIAL HETEROSTRUCTURES FOR SOLAR CELL APPLICATIONS.” 2017. Web. 19 Jun 2019.

Vancouver:

JIAJUN L. FIRST-PRINCIPLES STUDY ON SI24 AND 2D MATERIAL HETEROSTRUCTURES FOR SOLAR CELL APPLICATIONS. [Internet] [Thesis]. National University of Singapore; 2017. [cited 2019 Jun 19]. Available from: http://scholarbank.nus.edu.sg/handle/10635/139091.

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

Council of Science Editors:

JIAJUN L. FIRST-PRINCIPLES STUDY ON SI24 AND 2D MATERIAL HETEROSTRUCTURES FOR SOLAR CELL APPLICATIONS. [Thesis]. National University of Singapore; 2017. Available from: http://scholarbank.nus.edu.sg/handle/10635/139091

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


Kyoto University / 京都大学

28. Ohira, Koji. Systematic survey of phosphate materials for lithium-ion batteries by first principle calculations : 第一原理計算によるリチウムイオン電池用リン酸塩材料の系統的探索.

Degree: 博士(工学), 2013, Kyoto University / 京都大学

新制・課程博士

甲第17887号

工博第3796号

Subjects/Keywords: cathode materials; lithium metal phosphates; first-principles calculations phase stability; volumetric energy density

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APA (6th Edition):

Ohira, K. (2013). Systematic survey of phosphate materials for lithium-ion batteries by first principle calculations : 第一原理計算によるリチウムイオン電池用リン酸塩材料の系統的探索. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/180500 ; http://dx.doi.org/10.14989/doctor.k17887

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

Chicago Manual of Style (16th Edition):

Ohira, Koji. “Systematic survey of phosphate materials for lithium-ion batteries by first principle calculations : 第一原理計算によるリチウムイオン電池用リン酸塩材料の系統的探索.” 2013. Thesis, Kyoto University / 京都大学. Accessed June 19, 2019. http://hdl.handle.net/2433/180500 ; http://dx.doi.org/10.14989/doctor.k17887.

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

MLA Handbook (7th Edition):

Ohira, Koji. “Systematic survey of phosphate materials for lithium-ion batteries by first principle calculations : 第一原理計算によるリチウムイオン電池用リン酸塩材料の系統的探索.” 2013. Web. 19 Jun 2019.

Vancouver:

Ohira K. Systematic survey of phosphate materials for lithium-ion batteries by first principle calculations : 第一原理計算によるリチウムイオン電池用リン酸塩材料の系統的探索. [Internet] [Thesis]. Kyoto University / 京都大学; 2013. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/2433/180500 ; http://dx.doi.org/10.14989/doctor.k17887.

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

Council of Science Editors:

Ohira K. Systematic survey of phosphate materials for lithium-ion batteries by first principle calculations : 第一原理計算によるリチウムイオン電池用リン酸塩材料の系統的探索. [Thesis]. Kyoto University / 京都大学; 2013. Available from: http://hdl.handle.net/2433/180500 ; http://dx.doi.org/10.14989/doctor.k17887

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


Kyoto University / 京都大学

29. Fujimura, Koji. Theoretical Studies of Lithium-Ion Diffusion in LISICON-Type Solid Electrolytes : LISICON系固体電解質におけるリチウムイオン拡散の理論的研究.

Degree: 博士(工学), 2013, Kyoto University / 京都大学

新制・課程博士

甲第17888号

工博第3797号

Subjects/Keywords: solid electrolyte; LISICON; ionic conductivity; first-principles calculations; molecular dynamics; machine learning

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APA (6th Edition):

Fujimura, K. (2013). Theoretical Studies of Lithium-Ion Diffusion in LISICON-Type Solid Electrolytes : LISICON系固体電解質におけるリチウムイオン拡散の理論的研究. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/180501 ; http://dx.doi.org/10.14989/doctor.k17888

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

Chicago Manual of Style (16th Edition):

Fujimura, Koji. “Theoretical Studies of Lithium-Ion Diffusion in LISICON-Type Solid Electrolytes : LISICON系固体電解質におけるリチウムイオン拡散の理論的研究.” 2013. Thesis, Kyoto University / 京都大学. Accessed June 19, 2019. http://hdl.handle.net/2433/180501 ; http://dx.doi.org/10.14989/doctor.k17888.

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

MLA Handbook (7th Edition):

Fujimura, Koji. “Theoretical Studies of Lithium-Ion Diffusion in LISICON-Type Solid Electrolytes : LISICON系固体電解質におけるリチウムイオン拡散の理論的研究.” 2013. Web. 19 Jun 2019.

Vancouver:

Fujimura K. Theoretical Studies of Lithium-Ion Diffusion in LISICON-Type Solid Electrolytes : LISICON系固体電解質におけるリチウムイオン拡散の理論的研究. [Internet] [Thesis]. Kyoto University / 京都大学; 2013. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/2433/180501 ; http://dx.doi.org/10.14989/doctor.k17888.

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

Council of Science Editors:

Fujimura K. Theoretical Studies of Lithium-Ion Diffusion in LISICON-Type Solid Electrolytes : LISICON系固体電解質におけるリチウムイオン拡散の理論的研究. [Thesis]. Kyoto University / 京都大学; 2013. Available from: http://hdl.handle.net/2433/180501 ; http://dx.doi.org/10.14989/doctor.k17888

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


Kyoto University / 京都大学

30. Otani, Noriko. Theoretical investigations of solid solutions and hydrogenation of Ti-V based compounds : Ti-V系化合物の固溶状態及び水素化特性の理論解析.

Degree: 博士(工学), 2017, Kyoto University / 京都大学

新制・課程博士

甲第20368号

工博第4305号

Subjects/Keywords: Ti-V alloy; Vanadium; Metal hydride; First-principles calculations; Cluster expansion; Phonon calculation

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APA (6th Edition):

Otani, N. (2017). Theoretical investigations of solid solutions and hydrogenation of Ti-V based compounds : Ti-V系化合物の固溶状態及び水素化特性の理論解析. (Thesis). Kyoto University / 京都大学. Retrieved from http://hdl.handle.net/2433/225593 ; http://dx.doi.org/10.14989/doctor.k20368

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

Chicago Manual of Style (16th Edition):

Otani, Noriko. “Theoretical investigations of solid solutions and hydrogenation of Ti-V based compounds : Ti-V系化合物の固溶状態及び水素化特性の理論解析.” 2017. Thesis, Kyoto University / 京都大学. Accessed June 19, 2019. http://hdl.handle.net/2433/225593 ; http://dx.doi.org/10.14989/doctor.k20368.

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

MLA Handbook (7th Edition):

Otani, Noriko. “Theoretical investigations of solid solutions and hydrogenation of Ti-V based compounds : Ti-V系化合物の固溶状態及び水素化特性の理論解析.” 2017. Web. 19 Jun 2019.

Vancouver:

Otani N. Theoretical investigations of solid solutions and hydrogenation of Ti-V based compounds : Ti-V系化合物の固溶状態及び水素化特性の理論解析. [Internet] [Thesis]. Kyoto University / 京都大学; 2017. [cited 2019 Jun 19]. Available from: http://hdl.handle.net/2433/225593 ; http://dx.doi.org/10.14989/doctor.k20368.

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

Council of Science Editors:

Otani N. Theoretical investigations of solid solutions and hydrogenation of Ti-V based compounds : Ti-V系化合物の固溶状態及び水素化特性の理論解析. [Thesis]. Kyoto University / 京都大学; 2017. Available from: http://hdl.handle.net/2433/225593 ; http://dx.doi.org/10.14989/doctor.k20368

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

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