scholarly journals Ternary selenides A2Sb4Se8 (A = K, Rb and Cs) as an n-type thermoelectric material with high power factor and low lattice thermal conductivity: importance of the conformationally flexible Sb–Se–Se–Sb bridges

RSC Advances ◽  
2020 ◽  
Vol 10 (24) ◽  
pp. 14415-14421
Author(s):  
Changhoon Lee ◽  
Sujee Kim ◽  
Won-Joon Son ◽  
Ji-Hoon Shim ◽  
Myung-Hwan Whangbo

The ternary selenides A2Sb4Se8 (A = K, Rb, Cs) are predicted to be a high-performance n-type thermoelectric material, and the conformationally-flexible Sb–Se(2)–Se(2)–Sb bridges are crucial in determining the thermoelectric properties of A2Sb4Se8.

2021 ◽  
Vol 871 ◽  
pp. 203-207
Author(s):  
Jian Liu

In this work, we use first principles DFT calculations, anharmonic phonon scatter theory and Boltzmann transport method, to predict a comprehensive study on the thermoelectric properties as electronic and phonon transport of layered LaSe2 crystal. The flat-and-dispersive type band structure of LaSe2 crystal offers a high power factor. In the other hand, low lattice thermal conductivity is revealed in LaSe2 semiconductor, combined with its high power factor, the LaSe2 crystal is considered a promising thermoelectric material. It is demonstrated that p-type LaSe2 could be optimized to exhibit outstanding thermoelectric performance with a maximum ZT value of 1.41 at 1100K. Explored by density functional theory calculations, the high ZT value is due to its high Seebeck coefficient S, high electrical conductivity, and low lattice thermal conductivity .


2016 ◽  
Vol 4 (24) ◽  
pp. 5806-5813 ◽  
Author(s):  
Lin Li ◽  
Yuan Liu ◽  
Jiyan Dai ◽  
Aijun Hong ◽  
Min Zeng ◽  
...  

A good thermoelectric material usually has a high power factor and low thermal conductivity for high figure of merit (ZT), and is also environmentally friendly and economical.


Author(s):  
Wenwu Shi ◽  
Nina Ge ◽  
Xinzhong Wang ◽  
Zhiguo Wang

Low thermal conductivity and high power factor are essential for the efficient thermoelectric materials. The lattice thermal conductivity can be reduced by reducing the dimension of materials, thus improving the...


2017 ◽  
Vol 29 (6) ◽  
pp. 2529-2534 ◽  
Author(s):  
Jiangang He ◽  
Shiqiang Hao ◽  
Yi Xia ◽  
S. Shahab Naghavi ◽  
Vidvuds Ozoliņš ◽  
...  

Author(s):  
Makoto Tachibana ◽  
Ahmad Rifqi Muchtar ◽  
Takao Mori

Abstract We report the thermal conductivity (κ) of perovskite Sr1−x(La0.5Na0.5)xTiO3 (0 ≤ x ≤ 1) and the thermoelectric properties of Nb-doped samples for x = 0.1 and 0.2. The κ of the solid solution shows a distinct minimum near the cubic-tetragonal phase boundary at x = 0.2, where the value becomes close to the minimum theoretical κ. Nb doping to x = 0.2 retains the high power factor found in Nb-doped SrTiO3, but also raises the κ to result in a thermoelectric figure of merit of 0.24 at 773 K.


2016 ◽  
Vol 9 (10) ◽  
pp. 3044-3060 ◽  
Author(s):  
Li-Dong Zhao ◽  
Cheng Chang ◽  
Gangjian Tan ◽  
Mercouri G. Kanatzidis

It is remarkable that SnSe exhibits complex band structures and strong anharmonic bonding, endowing it with a high power factor and low thermal conductivity.


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