A first-principles study of Cl2, PH3, AsH3, BBr3 and SF4 gas adsorption on MoS2 monolayer with S and Mo vacancy

2019 ◽  
Vol 489 ◽  
pp. 841-848 ◽  
Author(s):  
J. Meribah Jasmine ◽  
A. Aadhityan ◽  
C. Preferencial kala ◽  
D. John Thiruvadigal
Keyword(s):  
First Principles ◽  
Gas Adsorption ◽  
First Principles Study ◽  
Mos2 Monolayer

A first principles study of gas adsorption on charged CuBTC

2011 ◽  
Vol 976 (1-3) ◽  
pp. 153-160 ◽  
Author(s):  
Chenggang Zhou ◽  
Lujie Cao ◽  
Shihao Wei ◽  
Qiuju Zhang ◽  
Liang Chen
Keyword(s):  
First Principles ◽  
Gas Adsorption ◽  
First Principles Study

First-principles study of gas adsorption on γ-graphyne

2017 ◽  
Vol 689 ◽  
pp. 185-189 ◽  
Author(s):  
Peng Zhang ◽  
Quan Song ◽  
Jun Zhuang ◽  
Xi-Jing Ning
Keyword(s):  
First Principles ◽  
Gas Adsorption ◽  
First Principles Study

First principles study of single and multi-site transition metal dopant ions in MoS2 monolayer

2019 ◽  
Vol 21 ◽  
pp. e00419 ◽  
Author(s):  
Kingsley Onyebuchi Obodo ◽  
Cecil Naphtaly Moro Ouma ◽  
Joshua Tobechukwu Obodo ◽  
Moritz Braun ◽  
Dmitri Bessarabov
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
First Principles Study ◽  
Mos2 Monolayer

A first-principles study of gas adsorption on monolayer AlN sheet

Vacuum ◽  
2018 ◽  
Vol 147 ◽  
pp. 18-23 ◽  
Author(s):  
Yusheng Wang ◽  
Nahong Song ◽  
Xiaoyan Song ◽  
Tianjie Zhang ◽  
Dapeng Yang ◽  
...  
Keyword(s):  
First Principles ◽  
Gas Adsorption ◽  
First Principles Study

Gas adsorption on MoS2/WS2 in-plane heterojunctions and the I–V response: a first principles study

RSC Advances ◽  
2016 ◽  
Vol 6 (21) ◽  
pp. 17494-17503 ◽  
Author(s):  
Jie Sun ◽  
Na Lin ◽  
Hao Ren ◽  
Cheng Tang ◽  
Letao Yang ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Gas Adsorption ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
First Principles Study ◽  
Metal Dichalcogenides ◽  
Great Scope

New artificial in-plane heterojunctions based on two-dimensional transition metal dichalcogenides fabricated in recent reports are considered able to offer great scope for applications.

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