Improvement of gas-adsorption performances of Ag-functionalized monolayer MoS2 surfaces: A first-principles study

Jian Song; Huan Lou

doi:10.1063/1.5022829

Improvement of gas-adsorption performances of Ag-functionalized monolayer MoS2 surfaces: A first-principles study

Journal of Applied Physics ◽

10.1063/1.5022829 ◽

2018 ◽

Vol 123 (17) ◽

pp. 175303 ◽

Cited By ~ 7

Author(s):

Jian Song ◽

Huan Lou

Keyword(s):

First Principles ◽

Gas Adsorption ◽

Monolayer Mos2 ◽

First Principles Study

Download Full-text

First Principles Study on Properties of Monolayer MoS2 Under Different Strains

Brazilian Journal of Physics ◽

10.1007/s13538-021-00927-2 ◽

2021 ◽

Author(s):

Yanping Wang ◽

Shan Huang ◽

Hui Zhao ◽

Kaiyuan Liu

Keyword(s):

First Principles ◽

Monolayer Mos2 ◽

First Principles Study ◽

Different Strains

Download Full-text

A first principles study of gas adsorption on charged CuBTC

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.08.018 ◽

2011 ◽

Vol 976 (1-3) ◽

pp. 153-160 ◽

Cited By ~ 41

Author(s):

Chenggang Zhou ◽

Lujie Cao ◽

Shihao Wei ◽

Qiuju Zhang ◽

Liang Chen

Keyword(s):

First Principles ◽

Gas Adsorption ◽

First Principles Study

Download Full-text

Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2016.02.230 ◽

2016 ◽

Vol 371 ◽

pp. 180-188 ◽

Cited By ~ 66

Author(s):

Dongwei Ma ◽

Weiwei Ju ◽

Tingxian Li ◽

Gui Yang ◽

Chaozheng He ◽

...

Keyword(s):

First Principles ◽

Monolayer Mos2 ◽

First Principles Study ◽

Molecule Adsorption ◽

Formaldehyde Molecule

Download Full-text

Enhancing photocatalytic activity in monolayer MoS2 by charge compensated co-doping with P and Cl: First principles study

Molecular Catalysis ◽

10.1016/j.mcat.2019.02.002 ◽

2019 ◽

Vol 468 ◽

pp. 94-99 ◽

Cited By ~ 2

Author(s):

Yafei Zhao ◽

Yizhe Sun ◽

Xiaoying Hu ◽

Jian Tu ◽

Qinwu Gao ◽

...

Keyword(s):

Photocatalytic Activity ◽

First Principles ◽

Monolayer Mos2 ◽

Co Doping ◽

First Principles Study

Download Full-text

Influence of Mo-vacancy concentration on the structural, electronic and optical properties of monolayer MoS2: A first-principles study

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2018.01.015 ◽

2018 ◽

Vol 209 ◽

pp. 146-151 ◽

Cited By ~ 11

Author(s):

Li-ping Feng ◽

Han-qing Sun ◽

Ao Li ◽

Jie Su ◽

Yan Zhang ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Vacancy Concentration ◽

Monolayer Mos2 ◽

Electronic And Optical Properties ◽

First Principles Study

Download Full-text

Electrocatalytic and photocatalytic performance of noble metal doped monolayer MoS2 in the hydrogen evolution reaction: A first principles study

Nano Materials Science ◽

10.1016/j.nanoms.2020.05.001 ◽

2020 ◽

Author(s):

Zheng Zhang ◽

Kai Chen ◽

Qiang Zhao ◽

Mei Huang ◽

Xiaoping Ouyang

Keyword(s):

Hydrogen Evolution ◽

Noble Metal ◽

Hydrogen Evolution Reaction ◽

First Principles ◽

Photocatalytic Performance ◽

Monolayer Mos2 ◽

First Principles Study ◽

Metal Doped

Download Full-text

SO2 gas adsorption on the transition metal (Pd, Ag, Au and Pt) -doped monolayer MoSe2: A first-principles study

Chemical Physics Letters ◽

10.1016/j.cplett.2019.136631 ◽

2019 ◽

Vol 733 ◽

pp. 136631 ◽

Cited By ~ 4

Author(s):

Jian Ren ◽

Yanyan Xue ◽

Lin Wang

Keyword(s):

Transition Metal ◽

First Principles ◽

Gas Adsorption ◽

First Principles Study ◽

So2 Gas

Download Full-text

First-principles study of gas adsorption on γ-graphyne

Chemical Physics Letters ◽

10.1016/j.cplett.2017.10.026 ◽

2017 ◽

Vol 689 ◽

pp. 185-189 ◽

Cited By ~ 15

Author(s):

Peng Zhang ◽

Quan Song ◽

Jun Zhuang ◽

Xi-Jing Ning

Keyword(s):

First Principles ◽

Gas Adsorption ◽

First Principles Study

Download Full-text

Temperature-dependent properties of monolayer MoS2 annealed in an Ar diluted S atmosphere: an experimental and first-principles study

Journal of Materials Chemistry C ◽

10.1039/c7tc03672h ◽

2017 ◽

Vol 5 (42) ◽

pp. 11138-11143 ◽

Cited By ~ 3

Author(s):

Lei Wang ◽

Xiaohong Ji ◽

Fei Chen ◽

Qinyuan Zhang

Keyword(s):

Optical Properties ◽

First Principles ◽

Monolayer Mos2 ◽

Temperature Dependent ◽

Structural And Optical Properties ◽

First Principles Study ◽

Temperature Dependent Properties

Monolayer MoS2 annealed under an Ar diluted S atmosphere exhibited novel structural and optical properties.

Download Full-text

Effect of vacancies on structural, electronic and optical properties of monolayer MoS2: A first-principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2014.06.018 ◽

2014 ◽

Vol 613 ◽

pp. 122-127 ◽

Cited By ~ 57

Author(s):

Li-ping Feng ◽

Jie Su ◽

Zheng-tang Liu

Keyword(s):

Optical Properties ◽

First Principles ◽

Monolayer Mos2 ◽

Electronic And Optical Properties ◽

First Principles Study

Download Full-text