Bismuth based half-Heusler alloys with giant thermoelectric figures of merit

2017 ◽  
Vol 5 (13) ◽  
pp. 6131-6139 ◽  
Author(s):  
Vikram Vikram ◽  
Jiban Kangsabanik ◽  
Enamullah Enamullah ◽  
Aftab Alam
Keyword(s):  
Ab Initio ◽  
Transport Properties ◽  
Thermoelectric Properties ◽  
Thermal Transport ◽  
Heusler Alloys ◽  
Band Structures ◽  
Theoretical Evaluation ◽  
Figures Of Merit ◽  
Thermal Transport Properties

An ab initio theoretical evaluation of the electrical and thermal transport properties of HfRhBi, ZrIrBi and ZrRhBi was performed. The calculated band structures of the three compounds served as a hint for their promising thermoelectric properties. Detailed results for the thermoelectric properties are also presented.

Electrical and thermal transport properties of Fe–Ni based ternary alloys in the earth's inner core: An ab initio study

2020 ◽  
Vol 301 ◽  
pp. 106465
Author(s):  
Mustapha Zidane ◽  
El Mehdi Salmani ◽  
Arnab Majumdar ◽  
Hamid Ez-Zahraouy ◽  
Abdelilah Benyoussef ◽  
...  
Keyword(s):  
Ab Initio ◽  
Transport Properties ◽  
Thermal Transport ◽  
Inner Core ◽  
Ternary Alloys ◽  
Ab Initio Study ◽  
Thermal Transport Properties ◽  
Earth’S Inner Core

scholarly journals Thermoelectric Properties of Bi2Te3: CuI and the Effect of Its Doping with Pb Atoms

2017 ◽  
Author(s):  
Mi-Kyung Han ◽  
Yingshi Jin ◽  
Da-Hee Lee ◽  
Sung-Jin Kim
Keyword(s):  
Thermal Conductivity ◽  
Electrical Conductivity ◽  
Seebeck Coefficient ◽  
Transport Properties ◽  
Carrier Concentration ◽  
Thermoelectric Properties ◽  
Thermal Transport ◽  
Co Doping ◽  
Thermal Transport Properties ◽  
Co Doped

In order to understand the effect of Pb-CuI co-doping on the thermoelectric performance of Bi2Te3, n-type Bi2Te3 co-doped with x at% CuI and 1/2x at% Pb (x = 0, 0.01, 0.03, 0.05, 0.07, and 0.10) were prepared via high temperature solid state reaction and consolidated using spark plasma sintering. Electron and thermal transport properties, i.e., electrical conductivity, carrier concentration, Hall mobility, Seebeck coefficient, and thermal conductivity, of CuI-Pb co-doped Bi2Te3 were measured in the temperature range from 300 K to 523 K and compared to corresponding x% of CuI-doped Bi2Te3 and undoped Bi2Te3. The addition of a small amount of Pb significantly decreased the carrier concentration, which could be attributed to the holes from Pb atoms, thus the CuI-Pb co-doped samples show a lower electrical conductivity and a higher Seebeck coefficient compared to CuI-doped samples with similar x values. The incorporation of Pb into CuI-doped Bi2Te3 rarely changed the power factor because of the trade-off relationship between the electrical conductivity and the Seebeck coefficient. The total thermal conductivity(κtot) of co-doped samples (κtot ~1.4 W/m∙K at 300 K) is slightly lower than that of 1% CuI-doped Bi2Te3 (κtot~1.5 W/m∙K at 300 K) and undoped Bi2Te3 (κtot ~1.6 W/m∙K at 300 K) due to the alloy scattering. The 1% CuI-Pb co-doped Bi2Te3 sample shows the highest ZT value of 0.96 at 370 K. All data on electrical and thermal transport properties suggest that the thermoelectric properties of Bi2Te3 and its operating temperature can be controlled by co-doping.

scholarly journals Influence of Te Vacancies on the Thermoelectric Properties of n-type Cu0.008Bi2Te2.7-xSe0.3

2020 ◽  
Vol 58 (10) ◽  
pp. 721-727
Author(s):  
Yerim Yang ◽  
TaeWan Kim ◽  
Seokown Hong ◽  
Jiwoo An ◽  
Sang-il Kim
Keyword(s):  
Thermal Conductivity ◽  
Transport Properties ◽  
Point Defect ◽  
Thermoelectric Properties ◽  
Thermal Transport ◽  
Phonon Scattering ◽  
Band Model ◽  
Total Thermal Conductivity ◽  
Thermal Transport Properties ◽  
Callaway Model

In this study, we report the influence of Te vacancy formation on the thermoelectric properties of n-type Cu0.008Bi2Te2.7Se0.3 alloys, including their electronic and thermal transport properties. Te-deficient Cu0.008Bi2Te2.7-xSe0.3 (x = 0, 0.005, 0.01 and 0.02) samples were systematically synthesized and characterized. Regarding electronic transport properties, carrier concentration was increased with Te vacancies, while carrier mobility was maintained. As a result, the electrical conductivity significantly increased while the Seebeck coefficient reduced moderately, thus, the power factor was enhanced from 3.04 mW/mK<sup>2</sup> (pristine) to 3.22 mW/mK<sup>2</sup> (x = 0.02) at 300 K. Further analysis based on a single parabolic band model revealed that the weighted mobility of the conduction band increased, which is favorable for electron transport, as Te vacancies were generated. Regarding thermal transport properties, lattice thermal conductivity decreased with Te vacancies due to additional point defect phonon scattering, however, total thermal conductivity increased due to larger electronic contribution as Te vacancies increased. Analysis using the Debye-Callaway model suggests that the phonon scattering by the Te vacancies is as efficient as the substitution point defect scattering. Consequently, the thermoelectric figure of merit zT increased at all temperatures for x = 0.005 and 0.01. The maximum zT of 0.95 was achieved for Te-deficient Cu0.008Bi2Te2.69Se0.3 (x = 0.01) at 400 K.

Thermal transport properties of antimonene: an ab initio study

2016 ◽  
Vol 18 (45) ◽  
pp. 31217-31222 ◽  
Author(s):  
Shudong Wang ◽  
Wenhua Wang ◽  
Guojun Zhao
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Transport Properties ◽  
Thermal Transport ◽  
Ab Initio Study ◽  
Thermoelectric Devices ◽  
Low Thermal Conductivity ◽  
Thermal Transport Properties

Searching for low thermal conductivity materials is crucial for thermoelectric devices.

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