杂原子
催化作用
电化学
电子转移
铜
电解
化学
本体电解
无机化学
电催化剂
兴奋剂
密度泛函理论
铼
材料科学
光化学
电极
物理化学
计算化学
循环伏安法
有机化学
电解质
光电子学
生物化学
戒指(化学)
作者
Honghai Wang,Yan‐an Yao,Jing Zhan,Yangting Jia,Yao Tong,Luhua Zhang,Fengshou Yu
出处
期刊:Chemcatchem
[Wiley]
日期:2023-04-04
卷期号:15 (9)
被引量:2
标识
DOI:10.1002/cctc.202201633
摘要
Abstract Electrochemical conversion of NO 3 − to NH 3 production is of great environmental significance for water pollution treatment and can artificially close the nitrogen cycle. However, direct nine protons and eight electrons transfer lead to low Faraday efficiency (FE) and yield. Herein, the single copper site immobilized on N,P co‐doped carbon substrates (Cu−N 4 /P) was prepared for efficient NO 3 − ‐to‐NH 3 conversion. Benefiting from the electronic redistribution of the Cu site induced by the introduction of the less electronegative element P, the Cu−N 4 /P catalyst exhibited a high Faraday efficiency of FE (95.89 %) for NH 3 product formation at a potential of −0.6 V vs . RHE and 100 % conversion of NO 3 − −N was achieved after 5 hours of electrolysis. Density functional theory (DFT) explains the effective operation mechanism that P doping can promote the spontaneous hydrogenation of *NO to form *NOH, thus promoting the formation of NH 3 from NO 3 − reduction reaction. The heteroatom doping strategy mentioned proposes a new approach for promoting NO 3 − ‐to‐NH 3 conversion at atomic level catalytic sites.
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