- Page 1 and 2: Exploration and Optimization of Tel
- Page 3 and 4: Abstract Thermoelectric materials a
- Page 5 and 6: Acknowledgements To begin, I would
- Page 7 and 8: Table of Contents List of Figures..
- Page 9 and 10: 9.3.1. Heating, XRD, and Structural
- Page 11 and 12: List of Figures Figure 1.1 (a) Pelt
- Page 13 and 14: Figure 9.2 Selected DOS calculation
- Page 15 and 16: List of Equations Equation 1.1 Dime
- Page 17: Table B.1 Atomic positions, isotrop
- Page 21 and 22: Opposing the Peltier Effect is the
- Page 23 and 24: Hence it follows that a good thermo
- Page 25 and 26: a b ∗ Equation 1.4 (a) Ele
- Page 27 and 28: Historically, thermoelectric materi
- Page 29 and 30: 1.3.2. Advantages and Disadvantages
- Page 31 and 32: common stoichiometry studied with c
- Page 33 and 34: Figure 1.8 (a) Ge Quantum Dots [74]
- Page 35 and 36: Chapter 2. Background of the Solid
- Page 37 and 38: 2.2. Defects, Non‐Stoichiometry a
- Page 39 and 40: electric field draws electrons towa
- Page 41 and 42: ∑ known as a Bloch function, w
- Page 43 and 44: orbital Hamilton population [96] i
- Page 45 and 46: 2.5.1. Doping and Substitution: Tun
- Page 47 and 48: The major problem with exclusively
- Page 49 and 50: Chapter 3. Synthesis Techniques All
- Page 51 and 52: Since reactions are driven by both
- Page 53 and 54: Table 3.1 Commonly used fluxes. [12
- Page 55 and 56: The procedure is carried‐out on a
- Page 57 and 58: Chapter 4. X‐Ray Diffraction Anal
- Page 59 and 60: The closely related electron densit
- Page 61 and 62: The majority of samples emerge from
- Page 63 and 64: int ∑ mean ∑ | | Equat
- Page 65 and 66: 4.3.1. Rietveld Method In 1967, Hug
- Page 67 and 68: Chapter 5. Physical Property Measur
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The electrical conductivity, σ, is
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a p b 0.1388 53 c Equati
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measurement implies that there was
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Figure 5.6 Home‐made electrical c
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The SEM is constructed from an elec
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The EDX measurement system utilized
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2 4 ext Equation 6.2 Ma
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Section III - Layered Bi2Te3 Compou
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aforementioned studies address the
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Pb‐based compound (~‐60 V∙K
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also differ in 2 there, while the r
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Table 7.2 LeBail data for phase‐p
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The physical properties, as mention
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Upon examination of the power facto
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Sn2Bi2Te5 was eventually found pure
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From the understanding of this comp
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Table 8.1 Rietveld refinements on S
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Although there is evidence here of
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Figure 8.3 DOS calculation comparis
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In order to better determine if the
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8.3.3. Physical Property Measuremen
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Figure 8.7 Thermal conductivity (le
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the thermal conductivity slope that
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8.4. Conclusions and Future Work A
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in Chapter 3 (except Arc Melting) w
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Table 9.2 LeBail refinements on var
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9.2.3.1. Doping Trials: [Tr]xSn1‐
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9.2.3.2. Substitution Trials: [Tr]x
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One can observe a variety of grain
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9.2.5. Conclusions Drawn from SnBi4
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SnBi4Te7, but suggest similar albei
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9.4. Project Summary and Future Wor
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Chapter 10. Introduction to Tl5Te3
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Figure 10.2 DOS calculations for Tl
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Thallium‐based chalcogenides clea
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: 36.3 (expected: 48.8 : 13.8 : 37.
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sintering of these pellets. A cold
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Figure 11.2 Thermoelectric properti
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at 319 K, increasing smoothly to 0.
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purity upon the first heating with
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Tl/Sn/Bi present in the 4c Wyckoff
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V∙K ‐1 at 592 K. As the bismuth
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Electrical conductivity values are
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Chapter 13. Modifications of Tl9SbT
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Table 13.1 Rietveld refinements for
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make an observable trend despite th
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The electrical conductivity values
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Section V - Ba Late‐Transition‐
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Obviously, compounds possessing the
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Table 14.1 Known Ba‐Cg‐Q compou
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All samples were analyzed by means
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crystal structure study of the Se
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As emphasized in Figure 15.2 (b), t
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The Cu-Cu COHP curve, cumulated ove
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Chapter 16. Ba3Cu17‐x(S,Te)11 and
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the selenide‐telluride before, th
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surrounded by three Q1 atoms. Besid
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Figure 16.3 The three‐dimensional
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Figure 16.5 Seebeck coefficient (le
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Chapter 17. Ba2Cu7‐xTe6 17.1. Int
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Table 17.1 Crystallographic Data fo
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Table 17.2 Atomic coordinates, Ueq
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17.3.2. Electronic Structure Calcul
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Figure 17.6 Crystal orbital Hamilto
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Section VI - Supplementary Informat
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[33] Rowe, D. M.; Kuznetsov, V. L.;
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[90] Albright, T. A.; Burdett, J. K
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[156] Cottenier, S., Density Functi
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[219] Toure, A. A.; Kra, G.; Eholie
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[294] Kanno, R.; Ohno, K.; Kawamoto
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Table A.3 Atomic positions and Ueq
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Table B.2 Selected interatomic dist
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Table B.5 Atomic coordinates and Ue
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Table B.7 Selected interatomic dist