Approaching in-depth mechanistic understanding of electrochemical hydrogen conversion from computational simulations

被引：4
|
作者：
Ringe, Stefan [1 ,2 ]
机构：
[1] Daegu Gyeongbuk Inst Sci & Technol DGIST, Dept Energy Sci & Engn, Daegu 42988, South Korea
[2] Daegu Gyeongbuk Inst Sci & Technol DGIST, Energy Sci & Engn Res Ctr, Daegu 42988, South Korea
来源：
CHEM CATALYSIS | 2021年 / 1卷 / 06期
关键词：
EVOLUTION; OXIDATION; PH;
D O I：
10.1016/j.checat.2021.10.019
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
In this issue, Gao and Wang present new mechanistic insights about the electrochemical hydrogen evolution and oxidation reactions on Pt(111). For this they perform micro-kinetic modeling utilizing constant potential activation barriers derived from grand-canonical density functional theory to gain insights on the origin of the Tafel slope, coverages, and rate-limiting steps.
引用
收藏
页码：1160 / 1162
页数：4
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