First principles study of electronic and thermoelectric performance of Li intercalated MoSe2 nanotubes

Biaxial Strain ◽

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

RSC Advances ◽

10.1039/c9ra07828b ◽

2019 ◽

Vol 9 (62) ◽

pp. 36301-36307 ◽

Cited By ~ 1

Author(s):

Jinjie Gu ◽

Lirong Huang ◽

Shengzong Liu

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

Lattice Thermal Conductivity ◽

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

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b03129 ◽

2017 ◽

Vol 121 (24) ◽

pp. 13035-13042 ◽

Cited By ~ 40

Author(s):

Kai-Xuan Chen ◽

Shu-Shen Lyu ◽

Xiao-Ming Wang ◽

Yuan-Xiang Fu ◽

Yi Heng ◽

...

Keyword(s):

First Principles ◽

Two Dimensional ◽

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

Scientific Reports ◽

10.1038/srep33120 ◽

2016 ◽

Vol 6 (1) ◽

Cited By ~ 12

Author(s):

Xiwen Zhang ◽

Yuanxu Wang ◽

Yuli Yan ◽

Chao Wang ◽

Guangbiao Zhang ◽

...

Keyword(s):

First Principles ◽

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

Computational Materials Science ◽

10.1016/j.commatsci.2018.10.038 ◽

2019 ◽

Vol 158 ◽

pp. 369-375 ◽

Cited By ~ 3

Author(s):

Chaoran Chen ◽

Peng Zhang ◽

Luo Yue ◽

Juan Li ◽

Teng Fang ◽

...

Keyword(s):

First Principles ◽

Computational Prediction ◽

First Principles Study ◽

P Type

Conduction band engineering of Mg2Si by isotropic strain for enhancement of thermoelectric performance: A first-principles study

Journal of Applied Physics ◽

10.1063/5.0001857 ◽

2020 ◽

Vol 127 (20) ◽

pp. 205107

Author(s):

Naomi Hirayama ◽

Yoji Imai ◽

Noriaki Hamada

Keyword(s):

Conduction Band ◽

First Principles ◽

Band Engineering ◽

Temperature- and doping-dependent roles of valleys in the thermoelectric performance of SnSe: A first-principles study

Physical Review B ◽

10.1103/physrevb.96.085113 ◽

2017 ◽

Vol 96 (8) ◽

Cited By ~ 23

Author(s):

Hitoshi Mori ◽

Hidetomo Usui ◽

Masayuki Ochi ◽

Kazuhiko Kuroki

Keyword(s):

First Principles ◽

First Principles Study on the Thermoelectric Performance of CaAl2Si2-type Zintl Phase Compounds

Journal of the Physical Society of Japan ◽

10.7566/jpsj.89.124707 ◽

2020 ◽

Vol 89 (12) ◽

pp. 124707

Author(s):

Hidetomo Usui ◽

Kazuhiko Kuroki

Keyword(s):

First Principles ◽

Zintl Phase ◽

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

RSC Advances ◽

10.1039/c7ra06455a ◽

2017 ◽

Vol 7 (62) ◽

pp. 38834-38843 ◽

Cited By ~ 11

Author(s):

Y. Javed ◽

M. A. Rafiq ◽

Nisar Ahmed

Keyword(s):

Electronic Structure ◽

Hydrostatic Pressure ◽

Band Gap ◽

First Principles ◽

First Principles Study ◽

Induced Changes

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

Publisher's Note: “Electronic structure tuning of α-SrSi2 by isotropic strain and isoelectronic impurity incorporation: A first-principles study for enhancement of low-temperature thermoelectric performance” [J. Appl. Phys. 130, 190903 (2021)]

Journal of Applied Physics ◽

10.1063/5.0081637 ◽

2021 ◽

Vol 130 (24) ◽

pp. 249901

Author(s):

Daishi Shiojiri ◽

Tsutomu Iida ◽

Masato Yamaguchi ◽

Naomi Hirayama ◽

Yoji Imai

Keyword(s):

Electronic Structure ◽

Low Temperature ◽

First Principles ◽

Impurity Incorporation ◽