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

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

First-principles study of the noble metal-doped BN layer

2011 ◽  
Vol 109 (8) ◽  
pp. 084308 ◽  
Author(s):  
Y. G. Zhou ◽  
P. Yang ◽  
X. Sun ◽  
Z. G. Wang ◽  
X. T. Zu ◽  
...  
Keyword(s):  
Noble Metal ◽  
First Principles ◽  
First Principles Study ◽  
Metal Doped

scholarly journals Hydrogen evolution reaction at the interfaces of two-dimensional lateral heterostructures: a first-principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (63) ◽  
pp. 38484-38489
Author(s):  
Huimin Hu ◽  
Jin-Ho Choi
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
2D Materials ◽  
Two Dimensional ◽  
First Principles Study ◽  
Synergetic Effects

Owing to the synergetic effects of different two-dimensional (2D) materials, 2D heterostructures have recently attracted much attention in the field of catalysis.

scholarly journals Hydrogen adsorption mechanism on single-layer MoSe2 for hydrogen evolution reaction: First-principles study

2018 ◽  
Vol 67 (21) ◽  
pp. 217102
Author(s):  
Xu Zi-Wei ◽  
Shi Chang-Shuai ◽  
Zhao Guang-Hui ◽  
Wang Ming-Yuan ◽  
Liu Gui-Wu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Adsorption Mechanism ◽  
Hydrogen Adsorption ◽  
Single Layer ◽  
First Principles Study

Metal/graphene heterobilayers as hydrogen evolution reaction cathodes: a first-principles study

2019 ◽  
Vol 21 (8) ◽  
pp. 4594-4599 ◽  
Author(s):  
Gang Zhou
Keyword(s):  
Charge Transfer ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
Single Layer ◽  
Interaction Region ◽  
First Principles Study

Rh atoms in the interaction region facilitate hydrogen evolution reaction, whereas others in the deformation and transition regions do not, due to the interlayer charge transfer between single-layer Rh sheet and graphene.

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