Theoretical Approach toward Optimum Anion-Doping on MXene Catalysts for Hydrogen Evolution Reaction: an Ab Initio Thermodynamics Study

2021 ◽  
Author(s):  
Hyunjun Nam ◽  
Eun Seob Sim ◽  
Minyeong Je ◽  
Heechae Choi ◽  
Yong-Chae Chung
Keyword(s):  
Ab Initio ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Theoretical Approach ◽  
Anion Doping

scholarly journals Unveiling the mechanism of high-performance hydrogen evolution reaction on noble-metal-free (113)-faceted Ni3C: ab initio calculations

RSC Advances ◽  
2022 ◽  
Vol 12 (2) ◽  
pp. 869-873
Author(s):  
Fuyun Hu ◽  
Jiahe Peng ◽  
Wei Xie ◽  
Neng Li
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Hydrogen Evolution ◽  
Noble Metal ◽  
Hydrogen Evolution Reaction ◽  
High Performance ◽  
Metal Free

High-performance hydrogen evolution reaction on noble-metal-free (113)-faceted Ni3C.

One-step electrodeposition of a hierarchically structured S-doped NiCo film as a highly-efficient electrocatalyst for the hydrogen evolution reaction

Nanoscale ◽  
2018 ◽  
Vol 10 (32) ◽  
pp. 15238-15248 ◽  
Author(s):  
Qijun Che ◽  
Ningning Bai ◽  
Qing Li ◽  
Xinhong Chen ◽  
Ya Tan ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Ni Foam ◽  
Anion Doping ◽  
Highly Efficient ◽  
One Step

A simple sulfur-anion doping strategy to obtain S-doped NiCo composite on Ni foam (NF) via a one-step electron-induced mechanism is used for highly-efficient and robust electrocatalytic hydrogen evolution.

Ab initio study of two-dimensional PdPS as an ideal light harvester and promising catalyst for hydrogen evolution reaction

2018 ◽  
Vol 7 ◽  
pp. 136-140 ◽  
Author(s):  
Yalong Jiao ◽  
Fengxian Ma ◽  
Liujiang Zhou ◽  
Yun Hau Ng ◽  
John Bell ◽  
...  
Keyword(s):  
Ab Initio ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Two Dimensional ◽  
Ab Initio Study
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