scholarly journals Thermoelectric transport properties of two-dimensional materials XTe2 (X = Pd, Pt) via first-principles calculations

2021 ◽  
Vol 70 (11) ◽  
pp. 116301-116301
Author(s):  
Wang Yan ◽  
◽  
Chen Nan-Di ◽  
Yang Chen ◽  
Zeng Zhao-Yi ◽  
...  
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Thermoelectric Transport ◽  
Two Dimensional Materials ◽  
Thermoelectric Transport Properties

scholarly journals Bilayer MSe2 (M = Zr, Hf) as promising two-dimensional thermoelectric materials: a first-principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (22) ◽  
pp. 12394-12403 ◽  
Author(s):  
Peng Yan ◽  
Guo-ying Gao ◽  
Guang-qian Ding ◽  
Dan Qin
Keyword(s):  
Thin Films ◽  
Thermoelectric Materials ◽  
First Principles ◽  
Transport Theory ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Boltzmann Transport ◽  
Thermoelectric Transport ◽  
Boltzmann Transport Theory ◽  
Thermoelectric Transport Properties

Motivated by experimental synthesis of two-dimensional MSe2 (M = Zr, Hf) thin films, we investigate the thermoelectric transport properties of MSe2 (M = Zr, Hf) bilayers by using first-principles calculations and Boltzmann transport theory.

A first-principles study of the thermoelectric properties of rhombohedral GeSe

2020 ◽  
Vol 22 (4) ◽  
pp. 1911-1922
Author(s):  
Kunpeng Yuan ◽  
Zhehao Sun ◽  
Xiaoliang Zhang ◽  
Xiaojing Gong ◽  
Dawei Tang
Keyword(s):  
Transport Properties ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
First Principles ◽  
High Performance ◽  
First Principles Calculations ◽  
Thermoelectric Transport ◽  
First Principles Study ◽  
Thermoelectric Transport Properties ◽  
P Type

This work offers insights into the thermoelectric transport properties in rhombohedral GeSe by first-principles calculations and demonstrates that both p-type and n-type GeSe are potential high-performance thermoelectric materials.

scholarly journals The use of strain to tailor electronic thermoelectric transport properties: A first principles study of 2H-phase CuAlO2

2019 ◽  
Vol 125 (8) ◽  
pp. 082531 ◽  
Author(s):  
Evan Witkoske ◽  
David Guzman ◽  
Yining Feng ◽  
Alejandro Strachan ◽  
Mark Lundstrom ◽  
...  
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Thermoelectric Transport ◽  
First Principles Study ◽  
Thermoelectric Transport Properties

Thermoelectric transport properties of rock-salt SnSe: first-principles investigation

2018 ◽  
Vol 6 (44) ◽  
pp. 12016-12022 ◽  
Author(s):  
Dongyang Wang ◽  
Wenke He ◽  
Cheng Chang ◽  
Guangtao Wang ◽  
Jinfeng Wang ◽  
...  
Keyword(s):  
Transport Properties ◽  
Thermoelectric Material ◽  
Rock Salt ◽  
First Principles ◽  
Thermoelectric Transport ◽  
Thermoelectric Transport Properties

Rock-salt SnSe is a new promising thermoelectric material.

The thermal and thermoelectric transport properties of SiSb, GeSb and SnSb monolayers

2019 ◽  
Vol 7 (34) ◽  
pp. 10652-10662 ◽  
Author(s):  
H. H. Huang ◽  
Xiaofeng Fan ◽  
David J. Singh ◽  
W. T. Zheng
Keyword(s):  
Transport Properties ◽  
Thermoelectric Material ◽  
Two Dimensional ◽  
Thermoelectric Transport ◽  
Thermoelectric Transport Properties

n-Type SiSb monolayer has potential for ZT of roughly 2 at 700 K and is a promising two-dimensional thermoelectric material.

Two-dimensional ferroelasticity and negative Poisson’s ratios in monolayer YbX (X=S, Se, Te)

2021 ◽  
Author(s):  
Qingwen Lan ◽  
Changpeng Chen
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Two Dimensional Materials ◽  
Poisson's Ratios ◽  
Poisson’S Ratios

Two-dimensional ferroelastic materials and two-dimensional materials with negative Poisson’s ratios have attracted great interest. Here, using first-principles calculations, we reveal the materials—monolayer YbX (X=S, Se, Te) that harbors both ferroelasticity...

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