First-Principles Investigation on the Significant Anisotropic Thermoelectric Transport Performance of a Hf2Cl4 Monolayer

2021 ◽  
Author(s):  
Bingke Li ◽  
Yongsheng Yang ◽  
Zhehao Sun ◽  
Hangbo Qi ◽  
Zhihui Xiong ◽  
...  
Keyword(s):  
First Principles ◽  
Thermoelectric Transport

scholarly journals Electron-phonon scattering and thermoelectric transport in p -type PbTe from first principles

2020 ◽  
Vol 102 (11) ◽  
Author(s):  
Ransell D'Souza ◽  
Jiang Cao ◽  
José D. Querales-Flores ◽  
Stephen Fahy ◽  
Ivana Savić
Keyword(s):  
First Principles ◽  
Phonon Scattering ◽  
Thermoelectric Transport ◽  
P Type ◽  
Electron Phonon Scattering

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.

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.

scholarly journals Investigating charge carrier scattering processes in anisotropic semiconductors through first-principles calculations: the case of p-type SnSe

2021 ◽  
Author(s):  
Anderson S. Chaves ◽  
Robert Luis González-Romero ◽  
Juan J. Meléndez ◽  
Alex Antonelli
Keyword(s):  
Energy Harvesting ◽  
Charge Carrier ◽  
First Principles ◽  
First Principles Calculations ◽  
Thermoelectric Transport ◽  
Carrier Scattering ◽  
Thermoelectric Transport Properties ◽  
Properties Of Materials ◽  
P Type ◽  
Charge Carrier Scattering

Efficient ab initio computational methods for the calculation of the thermoelectric transport properties of materials are of great interest for energy harvesting technologies.

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