Point defects engineering in graphene/h-BN bilayer: A first principle study

Applied Surface Science ◽

10.1016/j.apsusc.2014.09.097 ◽

2014 ◽

Vol 320 ◽

pp. 502-508 ◽

Author(s):

Jianmei Yuan ◽

Zhe Wei ◽

Jianxin Zhong ◽

Yanping Huang ◽

Yuliang Mao

Keyword(s):

Point Defects ◽

First Principle

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First-principle study of the effects of biaxial strain on the photocatalytic and magnetic mechanisms of ZnO with Sm doping and point defects (VZn, Hi)

Vacuum ◽

10.1016/j.vacuum.2021.110225 ◽

2021 ◽

Vol 189 ◽

pp. 110225

Author(s):

Airong Yang ◽

Qingyu Hou ◽

Xiang Yin ◽

Shulin Sha

Keyword(s):

Point Defects ◽

First Principle ◽

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Bonding character and formation energy of point defects of he and vacancy on (001) surface of bcc iron by first principle calculations

Acta Metallurgica Sinica (English Letters) ◽

10.1007/s40195-011-0504-z ◽

2013 ◽

Vol 26 (1) ◽

pp. 25-32 ◽

Author(s):

Jun Cai ◽

Daogang Lu

Keyword(s):

Point Defects ◽

Formation Energy ◽

First Principle ◽

First Principle Calculations ◽

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First Principle Study on the Electric Structure of β-FeSi<sub>2</sub> with Native Point Defects

Modeling and Numerical Simulation of Material Science ◽

10.4236/mnsms.2013.31b004 ◽

2013 ◽

Vol 03 (01) ◽

pp. 13-15

Author(s):

L.P. Peng ◽

A.L. He

Keyword(s):

Point Defects ◽

First Principle ◽

Native Point Defects ◽

Electric Structure

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β-In2S3 for photovoltaic devices: investigation of the native point defects with ab initio first-principle calculations

Theoretical Chemistry Accounts ◽

10.1007/s00214-018-2273-5 ◽

2018 ◽

Vol 137 (7) ◽

Author(s):

Adrien Stoliaroff ◽

Nicolas Barreau ◽

Stéphane Jobic ◽

Camille Latouche

Keyword(s):

Ab Initio ◽

Point Defects ◽

First Principle ◽

Photovoltaic Devices ◽

First Principle Calculations ◽

Native Point Defects

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Point Defects in L10 Phase FePt Alloy: A First Principle Study

Materials Science Forum - PRICM 6 ◽

10.4028/0-87849-462-6.1923 ◽

2007 ◽

pp. 1923-1926

Author(s):

Yang Sui ◽

Zi Yu Chen ◽

Xiao Lin Shu ◽

Tian Min Wang

Keyword(s):

Point Defects ◽

First Principle ◽

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Influence of point defects on optical properties of GaN-based materials by first principle study

Computational Materials Science ◽

10.1016/j.commatsci.2016.12.017 ◽

2017 ◽

Vol 129 ◽

pp. 49-54 ◽

Author(s):

Linsen Li ◽

Jiadong Yu ◽

Zhibiao Hao ◽

Lai Wang ◽

Jian Wang ◽

...

Keyword(s):

Optical Properties ◽

Point Defects ◽

First Principle

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First principle study of intrinsic point defects in Zintl-phase thermoelectric Eu2ZnSb2

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2020.155981 ◽

2020 ◽

Vol 843 ◽

pp. 155981

Author(s):

Haoqin Ma ◽

Guodong Li ◽

Xiaolian Zhang ◽

Haijun Huang ◽

Bo Duan ◽

...

Keyword(s):

Point Defects ◽

First Principle ◽

Zintl Phase ◽

Intrinsic Point Defects

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First-principle study of native point defects in β-FeSi2

Journal of Alloys and Compounds ◽

10.1016/s0925-8388(02)01127-1 ◽

2003 ◽

Vol 352 (1-2) ◽

pp. 153-157 ◽

Author(s):

J Tani ◽

H Kido

Keyword(s):

Point Defects ◽

First Principle ◽

Native Point Defects

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First principle study of electronic properties of ZnO nanoclusters with native point defects during gas adsorption

Applied Nanoscience ◽

10.1007/s13204-021-01756-0 ◽

2021 ◽

Author(s):

Rostyslav Bovhyra ◽

Yuriy Venhryn ◽

Andriy Serednytski ◽

Oleg Bovgyra ◽

Dmytro Popovych

Keyword(s):

Electronic Properties ◽

Point Defects ◽

Gas Adsorption ◽

First Principle ◽

Native Point Defects ◽

Zno Nanoclusters

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Infra-red, electron paramagnetic resonance and X-ray photoemission spectral properties of point defects in silica from first-principle calculations

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(98)00888-6 ◽

1999 ◽

Vol 245 (1-3) ◽

pp. 175-182 ◽

Author(s):

Gianfranco Pacchioni ◽

Mirko Vitiello

Keyword(s):

Electron Paramagnetic Resonance ◽

Point Defects ◽

Spectral Properties ◽

First Principle ◽

Paramagnetic Resonance ◽

X Ray ◽

First Principle Calculations ◽

Infra Red ◽

Electron Paramagnetic

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