scholarly journals Origin of high thermoelectric performance of FeNb1−xZr/HfxSb1−ySny alloys: A first-principles study

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Xiwen Zhang ◽  
Yuanxu Wang ◽  
Yuli Yan ◽  
Chao Wang ◽  
Guangbiao Zhang ◽  
...  
Keyword(s):  
First Principles ◽  
Thermoelectric Performance ◽  
First Principles Study

scholarly journals Ultralow lattice thermal conductivity and high thermoelectric performance of monolayer KCuTe: a first principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (62) ◽  
pp. 36301-36307 ◽  
Author(s):  
Jinjie Gu ◽  
Lirong Huang ◽  
Shengzong Liu
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
Lattice Thermal Conductivity ◽  
Thermoelectric Performance ◽  
First Principles Study ◽  
First Time

The excellent thermoelectric performance of monolayer KCuTe is discovered by first-principles study for the first time.

Excellent Thermoelectric Performance Predicted in Two-Dimensional Buckled Antimonene: A First-Principles Study

2017 ◽  
Vol 121 (24) ◽  
pp. 13035-13042 ◽  
Author(s):  
Kai-Xuan Chen ◽  
Shu-Shen Lyu ◽  
Xiao-Ming Wang ◽  
Yuan-Xiang Fu ◽  
Yi Heng ◽  
...  
Keyword(s):  
First Principles ◽  
Thermoelectric Performance ◽  
Two Dimensional ◽  
First Principles Study

scholarly journals Pressure-induced changes in the electronic structure and enhancement of the thermoelectric performance of SnS2: a first principles study

RSC Advances ◽  
2017 ◽  
Vol 7 (62) ◽  
pp. 38834-38843 ◽  
Author(s):  
Y. Javed ◽  
M. A. Rafiq ◽  
Nisar Ahmed
Keyword(s):  
Electronic Structure ◽  
Hydrostatic Pressure ◽  
Band Gap ◽  
First Principles ◽  
Thermoelectric Performance ◽  
First Principles Study ◽  
Induced Changes

Hydrostatic pressure reduces the band gap and increases the ZT value of SnS2.

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