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.

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

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.

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