scholarly journals Revisiting the Volmer–Heyrovský mechanism of hydrogen evolution on a nitrogen doped carbon nanotube: constrained molecular dynamics versus the nudged elastic band method

2020 ◽  
Vol 22 (19) ◽  
pp. 10536-10549 ◽  
Author(s):  
Rasmus Kronberg ◽  
Heikki Lappalainen ◽  
Kari Laasonen
Keyword(s):  
Hydrogen Evolution ◽  
Electrochemical Reactions ◽  
Direct Simulation ◽  
Elastic Band ◽  
Nitrogen Doped ◽  
Solvent Dynamics ◽  
Rigorous Description ◽  
Band Method ◽  
Nitrogen Doped Carbon ◽  
Explicit Dynamic

This study presents the first direct simulation of the hydrogen evolution reaction using a fully explicit, dynamic DFT approach and highlights the importance of incorporating solvent dynamics in the rigorous description of electrochemical reactions.

Fe@Fe 2 P Core‐Shell Nanorods Encapsulated in Nitrogen Doped Carbon Nanotubes as Robust and Stable Electrocatalyst Toward Hydrogen Evolution

2019 ◽  
Vol 6 (5) ◽  
pp. 1413-1418 ◽  
Author(s):  
Hao Hu ◽  
Quan Zhang ◽  
Fang Luo ◽  
Long Guo ◽  
Konggang Qu ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Hydrogen Evolution ◽  
Core Shell ◽  
Nitrogen Doped ◽  
Nitrogen Doped Carbon

Well-dispersed molybdenum nitrides on a nitrogen-doped carbon matrix for highly efficient hydrogen evolution in alkaline media

2017 ◽  
Vol 5 (39) ◽  
pp. 20932-20937 ◽  
Author(s):  
Zhe Lv ◽  
Muhammad Tahir ◽  
Xuewei Lang ◽  
Gang Yuan ◽  
Lun Pan ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Carbon Matrix ◽  
Alkaline Media ◽  
Alkaline Electrolyte ◽  
Nitrogen Doped ◽  
Highly Efficient ◽  
Molybdenum Nitrides ◽  
Nitrogen Doped Carbon

A strategy is designed to fabricate well-dispersed Mo2N nanoparticles on nitrogen-doped carbon as a new and effective electrocatalyst for hydrogen evolution in alkaline electrolyte.

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