Computational Screening toward Hydrogen Evolution Reaction by the Introduction of Point Defects at the Edges of Group IVA Monochalcogenides: A First-Principles Study

2020 ◽  
Vol 11 (18) ◽  
pp. 7664-7671
Author(s):  
Bo Zhang ◽  
Xiuli Fu ◽  
Li Song ◽  
Xiaojun Wu
Keyword(s):  
Hydrogen Evolution ◽  
Point Defects ◽  
Hydrogen Evolution Reaction ◽  
First Principles ◽  
First Principles Study ◽  
Computational Screening ◽  
Group Iva

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
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