Computational prediction of high thermoelectric performance in p-type CuGaTe2 with a first-principles study

2019 ◽  
Vol 158 ◽  
pp. 369-375 ◽  
Author(s):  
Chaoran Chen ◽  
Peng Zhang ◽  
Luo Yue ◽  
Juan Li ◽  
Teng Fang ◽  
...  
Keyword(s):  
First Principles ◽  
Computational Prediction ◽  
Thermoelectric Performance ◽  
First Principles Study ◽  
P Type

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

The n- and p-type thermoelectricity property of GeTe by first-principles study

2019 ◽  
Vol 810 ◽  
pp. 151838 ◽  
Author(s):  
Donglin Guo ◽  
Chunhong Li ◽  
Kebin Qiu ◽  
Qiqi Yang ◽  
Kejian Li ◽  
...  
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
P Type

First-principles study of C60 and C60F36 as transfer dopants for p-type diamond

2005 ◽  
Vol 17 (2) ◽  
pp. L21-L26 ◽  
Author(s):  
S J Sque ◽  
R Jones ◽  
J P Goss ◽  
P R Briddon ◽  
S Öberg
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
P Type

scholarly journals First-principles study on intrinsic defects of SnSe

RSC Advances ◽  
2017 ◽  
Vol 7 (44) ◽  
pp. 27612-27618 ◽  
Author(s):  
Yucheng Huang ◽  
Chan Wang ◽  
Xi Chen ◽  
Danmei Zhou ◽  
Jinyan Du ◽  
...  
Keyword(s):  
First Principles ◽  
Intrinsic Defects ◽  
First Principles Study ◽  
P Type ◽  
Type Conduction ◽  
Effective Source

Sn vacancies can work as an effective source for p-type conduction under both Sn- and Se-rich conditions while n-type conduction is unlikely to be realized due to the absence of the effective intrinsic source.

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