First Principles Study of Regulation of Monolayer ZnO and Vacancy Defects Equibiaxial Strain

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-021-06135-y ◽

2022 ◽

Author(s):

ChengYue Wang ◽

SuFang Wang ◽

ShaoRong Li ◽

PengXiang Zhao ◽

Jing Liang ◽

...

Keyword(s):

First Principles ◽

Vacancy Defects ◽

First Principles Study

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A first-principles study of the effect of doping and vacancy defects on the magnetic properties of ZnSnAs2:V

Indian Journal of Physics ◽

10.1007/s12648-021-02188-w ◽

2021 ◽

Author(s):

V. N. Jafarova ◽

G. S. Orudzhev

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Vacancy Defects ◽

First Principles Study ◽

Effect Of Doping

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A first-principles study of the effect of vacancy defects on the electronic structures of greigite (Fe3S4)

Scientific Reports ◽

10.1038/s41598-018-29176-1 ◽

2018 ◽

Vol 8 (1) ◽

Author(s):

Min Wu ◽

Xia Zhou ◽

Shibei Huang ◽

Jianlin Cheng ◽

Zhenyu Ding

Keyword(s):

First Principles ◽

Electronic Structures ◽

Vacancy Defects ◽

First Principles Study

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First principles study of oxygen vacancy defects in tantalum pentoxide

Journal of Applied Physics ◽

10.1063/1.1615700 ◽

2003 ◽

Vol 94 (9) ◽

pp. 5609-5612 ◽

Author(s):

R. Ramprasad

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Tantalum Pentoxide ◽

Vacancy Defects ◽

First Principles Study

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First-Principles Study of Na Storage in Bilayer Graphene with Double Vacancy Defects

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201611151 ◽

2017 ◽

Vol 33 (3) ◽

pp. 520-529 ◽

Author(s):

Shao-Bin YANG ◽

◽

Si-Nan LI ◽

Ding SHEN ◽

Shu-Wei TANG ◽

...

Keyword(s):

First Principles ◽

Bilayer Graphene ◽

Vacancy Defects ◽

First Principles Study

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Atomic diffusion mediated by vacancy defects in L12-Zr3Al: A first-principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2019.153223 ◽

2020 ◽

Vol 821 ◽

pp. 153223

Author(s):

Zhixin Ren ◽

Zhe Xue ◽

Xinyu Zhang ◽

Jiaqian Qin ◽

Mingzhen Ma ◽

...

Keyword(s):

First Principles ◽

Atomic Diffusion ◽

Vacancy Defects ◽

First Principles Study

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Stability of BiAlO3 and its vacancy defects: A first-principles study

Physics Letters A ◽

10.1016/j.physleta.2010.11.013 ◽

2011 ◽

Vol 375 (3) ◽

pp. 633-637 ◽

Author(s):

Zhiping Lin ◽

Yu-Jun Zhao ◽

Yanming Zhao

Keyword(s):

First Principles ◽

Vacancy Defects ◽

First Principles Study

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First principles study on the influence of vacancy defects on electronic structure and optical properties of Ga0.5Al0.5As photocathodes

Optik ◽

10.1016/j.ijleo.2013.07.058 ◽

2014 ◽

Vol 125 (1) ◽

pp. 587-592 ◽

Author(s):

Xiaohua Yu ◽

Zhonghao Ge ◽

Benkang Chang ◽

Meishan Wang ◽

Honggang Wang

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

Vacancy Defects ◽

First Principles Study

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Hydrogen adsorption and storage on palladium-decorated graphene with boron dopants and vacancy defects: A first-principles study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2014.09.022 ◽

2015 ◽

Vol 66 ◽

pp. 40-47 ◽

Author(s):

Ling Ma ◽

Jian-Min Zhang ◽

Ke-Wei Xu ◽

Vincent Ji

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

Vacancy Defects ◽

First Principles Study ◽

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First Principles Study of Electronic Structure and Optical Properties of ZnNb2O6 with Vacancy Defects

Journal of Inorganic Materials ◽

10.15541/jim20200070 ◽

2020 ◽

pp. 70

Author(s):

Yuxing YAN ◽

Fan WANG ◽

Juexuan ZHANG ◽

Fushao LI

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

Vacancy Defects ◽

First Principles Study

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First-principles study of vacancy defects at interfaces between monolayer MoS2 and Au

RSC Advances ◽

10.1039/d0ra04833j ◽

2020 ◽

Vol 10 (48) ◽

pp. 28725-28730

Author(s):

Xiaoqian Qiu ◽

Yiren Wang ◽

Yong Jiang

Keyword(s):

Contact Resistance ◽

First Principles ◽

Electron Injection ◽

Monolayer Mos2 ◽

Injection Efficiency ◽

Vacancy Defects ◽

First Principles Study ◽

Electronic Performance ◽

Lower Contact ◽

Electron Injection Efficiency

Energetically favorable S(hollow)-vacancy has lower contact resistance and higher electron injection efficiency, resulting in better electronic performance in defective Au–MoS2 contact.

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