电化学
氮气
限制
Atom(片上系统)
还原(数学)
催化作用
氮原子
材料科学
密度泛函理论
化学
物理化学
计算化学
电极
戒指(化学)
机械工程
几何学
生物化学
数学
有机化学
计算机科学
工程类
嵌入式系统
作者
Gurpreet Kour,Xin Mao,Aijun Du
出处
期刊:Journal of materials chemistry. A, Materials for energy and sustainability
[The Royal Society of Chemistry]
日期:2022-01-01
卷期号:10 (11): 6204-6215
被引量:38
摘要
Single atom alloys (SAAs) based on TM doped Ru(0001) were investigated for their nitrogen reduction activity using density functional modelling. V@Ru(0001) was found to exhibit a low negative limiting potential and the TOF of the V@Ru(0001) catalyst was shown to be high.
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