
Clemson University
1.
Zhou, Menghan.
Vanadium Diselenide: On the Verge of Charge Density Wave.
Degree: PhD, Physics and Astronomy, 2016, Clemson University
URL: https://tigerprints.clemson.edu/all_dissertations/2414
► Charge density wave (CDW) is a many-body state of matter in which both lattice and electron density are modulated by a new periodicity. CDW…
(more)
▼ Charge density wave (CDW) is a many-body state of matter in which both lattice and electron density are modulated by a new periodicity. CDW features discrete translational symmetry breaking, and mostly occurs in low-dimensional materials. Although CDW behaviors have been found in many materials, the underlying mechanism and the driving forces of CDW transition are still unclear. In particular, the origin of CDW in two-dimensional materials, especially in layered transition metal dicalchogenides (TMDCs), may be distinct from that in one-dimensional materials.
In this dissertation, the CDW transition in VSe2, a layered TMDC material, is explored. Density functional theory (DFT) calculations were performed on bulk VSe2, and the calculated results of spin-polarized band structure, density of states (DOS) and Fermi surface, along with phonon dispersion relation and phonon DOS are presented. Experimentally, both single- and polycrystalline VSe2 samples were investigated by means of electrical resistivity, Seebeck coefficient, Hall coefficient/Hall angle, magnetic susceptibility, heat capacity and thermal conductivity measurements. The anomalies of these physical properties across CDW transition temperature are studied and discussed. The experimental results indicate that the CDW in VSe2 is weak, and only a small portion of Fermi surface is gapped during the transition. The comparison with three other CDW materials sheds light on the different origins of CDW formation in TMDCs.
Additionally, anomalies are found at very low temperatures in the heat capacity and electrical resistivity measurements of both single- and poly-crystalline VSe2. The anomaly in heat capacity is presumably due to Schottky heat capacity caused by the nuclear spin of V atoms.
Advisors/Committee Members: Dr. Jian He, Committee Chair, Dr. Feng Ding, Dr. Donald Liebenberg, Dr. Terry M. Tritt.
Subjects/Keywords: Physics
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APA (6th Edition):
Zhou, M. (2016). Vanadium Diselenide: On the Verge of Charge Density Wave. (Doctoral Dissertation). Clemson University. Retrieved from https://tigerprints.clemson.edu/all_dissertations/2414
Chicago Manual of Style (16th Edition):
Zhou, Menghan. “Vanadium Diselenide: On the Verge of Charge Density Wave.” 2016. Doctoral Dissertation, Clemson University. Accessed January 18, 2021.
https://tigerprints.clemson.edu/all_dissertations/2414.
MLA Handbook (7th Edition):
Zhou, Menghan. “Vanadium Diselenide: On the Verge of Charge Density Wave.” 2016. Web. 18 Jan 2021.
Vancouver:
Zhou M. Vanadium Diselenide: On the Verge of Charge Density Wave. [Internet] [Doctoral dissertation]. Clemson University; 2016. [cited 2021 Jan 18].
Available from: https://tigerprints.clemson.edu/all_dissertations/2414.
Council of Science Editors:
Zhou M. Vanadium Diselenide: On the Verge of Charge Density Wave. [Doctoral Dissertation]. Clemson University; 2016. Available from: https://tigerprints.clemson.edu/all_dissertations/2414

Clemson University
2.
Mallineni, Sai Sunil Kumar.
Two-dimensional Nanomaterials for Renewable Energy Generation and Sensing Applications.
Degree: PhD, Physics and Astronomy, 2018, Clemson University
URL: https://tigerprints.clemson.edu/all_dissertations/2124
► Two-dimensional (2D) materials have been intriguing physicists and material scientists for more than two decades due to their unique physical properties that emerge from phenomena…
(more)
▼ Two-dimensional (2D) materials have been intriguing physicists and material scientists for more than two decades due to their unique physical properties that emerge from phenomena such as charge confinement, heat flow in a 2D plane, etc. For example, graphene exhibits room temperature quantum Hall effect, quantized optical transmittance, non-local hot carrier transport, and Klein tunneling. Building on such fundamental phenomena, my work focuses on biomolecular sensing, energy generation, and storage using 2D materials such as graphene, graphene oxide, boron nitride, and 2D titanium carbide. Chapter 1 provides an introduction to 2D materials and their current status and their applications. In Chapter 2, the effects of nitrogen dopants in graphene are investigated for its possible applications as a selective permeable membrane. Specifically, I investigated theoretically and confirmed experimentally the influence of nitrogen dopant configuration (viz., graphitic, pyridinic, and pyrrolic) on selective gas permeability of graphene. The N-dopants in non-graphitic configurations (pyridinic and pyrrolic) showed selective permeability to O2 unlike graphitic N-dopants. These results implied that N-doped graphene could potentially be used as an O2 selective permeable membrane in devices such as Li-air batteries. In addition to the use of high surface area 2D materials in energy storage as discussed in Chapter 2, I also demonstrated the use of 2D materials (particularly, graphene and titanium carbide) for energy generation as described in Chapter 3 using novel “triboelectric nanogenerators (TENGs)”. Notably, in Chapter 3 I provide blueprints for flexible and wearable TENGs that can be directly integrated with textiles, automobiles, and ocean wave energy harvesters. Lastly, in Chapter 3 I demonstrate new strategies for additive manufacturing of 2D material-based TENGs that convert mechanical energy into electricity and wirelessly transmit it for storage in batteries and capacitors. In Chapter 4, the use of novel 2D nanomaterials such as graphene, graphene oxide, and boron nitride for bio-sensing applications is demonstrated. In particular, the fundamental interactions of aromatic amino acids viz., tyrosine, tryptophan, and phenylalanine with 2D materials were studied using a comprehensive array of tools including Raman spectroscopy, cyclic voltammetry, and photoluminescence spectroscopy. In summary, my work epitomizes the unique electronic and optical properties of 2D materials and their use in a variety of sensors and sustainable energy devices.
Advisors/Committee Members: Dr. Apparao M Rao, Committee Chair, Dr. Ramakrishna Podila, Co-Chair, Dr. Terry M Tritt, Dr. Goutam Koley.
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APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Mallineni, S. S. K. (2018). Two-dimensional Nanomaterials for Renewable Energy Generation and Sensing Applications. (Doctoral Dissertation). Clemson University. Retrieved from https://tigerprints.clemson.edu/all_dissertations/2124
Chicago Manual of Style (16th Edition):
Mallineni, Sai Sunil Kumar. “Two-dimensional Nanomaterials for Renewable Energy Generation and Sensing Applications.” 2018. Doctoral Dissertation, Clemson University. Accessed January 18, 2021.
https://tigerprints.clemson.edu/all_dissertations/2124.
MLA Handbook (7th Edition):
Mallineni, Sai Sunil Kumar. “Two-dimensional Nanomaterials for Renewable Energy Generation and Sensing Applications.” 2018. Web. 18 Jan 2021.
Vancouver:
Mallineni SSK. Two-dimensional Nanomaterials for Renewable Energy Generation and Sensing Applications. [Internet] [Doctoral dissertation]. Clemson University; 2018. [cited 2021 Jan 18].
Available from: https://tigerprints.clemson.edu/all_dissertations/2124.
Council of Science Editors:
Mallineni SSK. Two-dimensional Nanomaterials for Renewable Energy Generation and Sensing Applications. [Doctoral Dissertation]. Clemson University; 2018. Available from: https://tigerprints.clemson.edu/all_dissertations/2124
3.
Mehdizadeh Dehkordi, Arash.
An Experimental Investigation Towards Improvement of Thermoelectric Properties of Strontium Titanate Ceramics.
Degree: PhD, Materials Science and Engineering, 2014, Clemson University
URL: https://tigerprints.clemson.edu/all_dissertations/1333
► The direct energy conversion between heat and electricity based on thermoelectric effects is a topic of long-standing interest in condensed matter materials science. Experimental…
(more)
▼ The direct energy conversion between heat and electricity based on thermoelectric effects is a topic of long-standing interest in condensed matter materials science. Experimental and theoretical investigations in order to understand the mechanisms involved and to improve the materials properties and conversion efficiency have been ongoing for more than half a century. While significant achievements have been accomplished in improving the properties of conventional heavy element based materials (such as Bi
2Te
3 and PbTe) as well as the discovery of new materials systems for the close-to-room temperature and intermediate temperatures, high-temperature applications of thermoelectrics is still limited to one materials system, namely SiGe. Recently, oxides have exhibited great potential to be investigated for high-temperature thermoelectric power generation. The objective of this Dissertation is to synthesize and investigate both electronic and thermal transport in strontium titanate (SrTiO
3) ceramics in order to experimentally realize its potential and to ultimately investigate the possibility of further improvement of the thermoelectric performance of this perovskite oxide for mid- to high temperature applications. Developing a synthesis strategy and tuning various synthesis parameters to benefit the thermoelectric transport form the foundation of this study. It is worth mentioning that the results of this study has been employed to prepare targets for pulsed-laser deposition (PLD) to study the thermoelectric properties of corresponding thin films and superlattice structures at
Dr. Husam Alshareef's group at King Abdullah
University of Science and Technology (KAUST), Saudi Arabia. Considering the broad range of functionality of SrTiO
3, the findings of this work will surely benefit other fields of research and application of this functional oxide such as photoluminescence, ferroelectricity or mixed-ionic electronic conductivity. This Dissertation will ultimately attempt to answer the question, 'Is it possible to further improve the thermoelectric properties of SrTiO
3-based ceramics?'. The organization of the Dissertation is as follows: In Chapter 1, the fundamental concepts in the thermoelectric theory is explained. Second, we briefly review the characteristics of 'good' thermoelectric materials and highlight the differences exist between SrTiO
3 and conventional thermoelectric materials. In Chapter 2, SrTiO
3 is introduced and the electronic and thermal properties arising from its crystal structure are discussed. Chapter 3 is dedicated to the fundamentals of measurements of the electronic and thermal transport properties which are the backbone of the current work. Our experimental results are presented in Chapter 4 and 5. The synthesis and processing techniques to prepare doped SrTiO
3 powder and bulk polycrystalline ceramic are presented in Chapter 3. The optimizations of the synthesis and densification parameters involved are presented and discussed in this chapter as well. Significant…
Advisors/Committee Members: Dr. Terry M. Tritt, Dr. John Ballato, Dr. Stephen H. Foulger, Dr. Gary C. Lickfield.
Subjects/Keywords: Enhancement; Oxide; Power Factor; strontium titanate; Thermoelectric; Environmental Sciences; Materials Science and Engineering; Power and Energy
…Clemson University. (Inset) the schematic side view of the Furnace/Sample setup… …electrical conductivity
measurement system at Complex and Advanced Materials Lab at Clemson… …University.
(Inset) Schematic of Sample and probes arrangements inside the IR Furnace…
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Mehdizadeh Dehkordi, A. (2014). An Experimental Investigation Towards Improvement of Thermoelectric Properties of Strontium Titanate Ceramics. (Doctoral Dissertation). Clemson University. Retrieved from https://tigerprints.clemson.edu/all_dissertations/1333
Chicago Manual of Style (16th Edition):
Mehdizadeh Dehkordi, Arash. “An Experimental Investigation Towards Improvement of Thermoelectric Properties of Strontium Titanate Ceramics.” 2014. Doctoral Dissertation, Clemson University. Accessed January 18, 2021.
https://tigerprints.clemson.edu/all_dissertations/1333.
MLA Handbook (7th Edition):
Mehdizadeh Dehkordi, Arash. “An Experimental Investigation Towards Improvement of Thermoelectric Properties of Strontium Titanate Ceramics.” 2014. Web. 18 Jan 2021.
Vancouver:
Mehdizadeh Dehkordi A. An Experimental Investigation Towards Improvement of Thermoelectric Properties of Strontium Titanate Ceramics. [Internet] [Doctoral dissertation]. Clemson University; 2014. [cited 2021 Jan 18].
Available from: https://tigerprints.clemson.edu/all_dissertations/1333.
Council of Science Editors:
Mehdizadeh Dehkordi A. An Experimental Investigation Towards Improvement of Thermoelectric Properties of Strontium Titanate Ceramics. [Doctoral Dissertation]. Clemson University; 2014. Available from: https://tigerprints.clemson.edu/all_dissertations/1333
4.
Zeng, Xiaoyu.
The Defects Chemsitry in La Filled CoSb3 Skutterudites Explored by Thermoelectric Study and Density Functional Theory Calculations.
Degree: PhD, Physics, 2016, Clemson University
URL: https://tigerprints.clemson.edu/all_dissertations/1683
► With the ever increasing consumption rate of energy, we will run out of fossil fuel resources sooner than we expect. Also the environmental concerns associated…
(more)
▼ With the ever increasing consumption rate of energy, we will run out of fossil fuel resources sooner than we expect. Also the environmental concerns associated with the use of fossil fuel become a severe issue. As such, the need for alternative energy becomes extremely impending. Thermoelectricity is the simplest technology applica-ble to direct heat-electricity energy conversion with electricity being the best quality form of energy and heat being the lowest. However, comparing to the front row can-didates such as wind, photovoltaics, solar heat and biofuel that is possible to replace fossil fuel, thermoelectrics has received less heed due to its low conversion efficiency. Nonetheless, its ability to directly convert heat into electricity in an all solid-state manner still makes it pretty tempting for application as one of the energy sources. This can be well-justified by the fact that a huge amount of heat exhausted from a car, a power station or an industrial process is all amendable to thermoelectric (TE) conversion. What’s more, TE energy conversion is green and environmentally friendly, the TE devices have no movable parts and are susceptible to be miniaturized, so they can be shaped as needed and maintenance is minimized.
Since modern TE study is efficiency driven and material oriented fundamental re-search, developing higher performance TE materials has thus become the ultimate goal so as to make thermoelectricity a crucial part in this big energy picture. Among the state of art TE materials, Co4Sb12 based skutterudites have become increasingly favorable for room temperature (300 K) to 800 K applications. The interest mainly lies on how such high performance is achieved via ”engineering” its unique crystal structure - the naturally formed nano-sized ”cage”. Properties of Co4Sb12 based skutterudites can be ”tuned” by filling guest atoms and/or substitutionally doping. The function of guest atoms is two-fold: One is to decrease the lattice ther-mal conductivity; the other is to improve the electrical properties. While guest atoms directly help optimize TE properties, they have certain solubility limit or Filling frac-tion limit (FFL) in the ”cage”, if surpassed, secondary phases would still contribute constructively to TE performance. From a solid state physics point of view, those fillers, dopants and secondary phases are all defects of different dimensionality, there-fore, Co4Sb12 skutterudites provide a material template to study the interplay of defects.
Recently, the study of ”cagey” material mainly focuses on the optimization of perfor-mance of ”multiple-filled” skutterudites. In contrast, single filling is less sufficiently studied. To study the defect chemistry, a combined theoretical and experimental study of the single filled skutterudites is indispensable. Also, although the single-filled Co4Sb12 may not exhibit high performance, understanding a high performance material is equally important as understanding a low performance material. To this end, La was chosen to be the guest atom in our work for being the first…
Advisors/Committee Members: Dr. Terry M. Tritt, Committee Chair, Dr. Jian He, Dr. Donald Liebenberg, Dr. Catalina Marinescu.
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Record Details
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❌
APA ·
Chicago ·
MLA ·
Vancouver ·
CSE |
Export
to Zotero / EndNote / Reference
Manager
APA (6th Edition):
Zeng, X. (2016). The Defects Chemsitry in La Filled CoSb3 Skutterudites Explored by Thermoelectric Study and Density Functional Theory Calculations. (Doctoral Dissertation). Clemson University. Retrieved from https://tigerprints.clemson.edu/all_dissertations/1683
Chicago Manual of Style (16th Edition):
Zeng, Xiaoyu. “The Defects Chemsitry in La Filled CoSb3 Skutterudites Explored by Thermoelectric Study and Density Functional Theory Calculations.” 2016. Doctoral Dissertation, Clemson University. Accessed January 18, 2021.
https://tigerprints.clemson.edu/all_dissertations/1683.
MLA Handbook (7th Edition):
Zeng, Xiaoyu. “The Defects Chemsitry in La Filled CoSb3 Skutterudites Explored by Thermoelectric Study and Density Functional Theory Calculations.” 2016. Web. 18 Jan 2021.
Vancouver:
Zeng X. The Defects Chemsitry in La Filled CoSb3 Skutterudites Explored by Thermoelectric Study and Density Functional Theory Calculations. [Internet] [Doctoral dissertation]. Clemson University; 2016. [cited 2021 Jan 18].
Available from: https://tigerprints.clemson.edu/all_dissertations/1683.
Council of Science Editors:
Zeng X. The Defects Chemsitry in La Filled CoSb3 Skutterudites Explored by Thermoelectric Study and Density Functional Theory Calculations. [Doctoral Dissertation]. Clemson University; 2016. Available from: https://tigerprints.clemson.edu/all_dissertations/1683