Functionalization of monolayer MoS2 by substitutional doping: A first-principles study

2013 ◽  
Vol 377 (19-20) ◽  
pp. 1362-1367 ◽  
Author(s):  
Qu Yue ◽  
Shengli Chang ◽  
Shiqiao Qin ◽  
Jingbo Li
Keyword(s):  
First Principles ◽  
Monolayer Mos2 ◽  
First Principles Study ◽  
Substitutional Doping

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

2016 ◽  
Vol 371 ◽  
pp. 180-188 ◽  
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

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

2019 ◽  
Vol 468 ◽  
pp. 94-99 ◽  
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

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

2017 ◽  
Vol 5 (42) ◽  
pp. 11138-11143 ◽  
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.

First-principles study of X(O, Se, Te)-doped monolayer MoS2 for Hg0 adsorption

2021 ◽  
Vol 127 ◽  
pp. 114504 ◽  
Author(s):  
Yu Wang ◽  
Jiaming Ni ◽  
Peng Chen ◽  
Jun Chen ◽  
Feifei Jia ◽  
...  
Keyword(s):  
First Principles ◽  
Monolayer Mos2 ◽  
First Principles Study
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