面(心理学)
电化学
原位
催化作用
密度泛函理论
氨
氨生产
产量(工程)
硝酸盐
材料科学
六方晶系
化学
化学工程
无机化学
结晶学
物理化学
计算化学
电极
有机化学
心理学
社会心理学
人格
五大性格特征
工程类
冶金
作者
Suwei Lu,Yuhang Li,Hongping Yan,Guohui Lin,Tingting Qi,Shijing Liang,Lilong Jiang
出处
期刊:Authorea - Authorea
日期:2024-06-14
标识
DOI:10.22541/au.171838233.34303188/v1
摘要
The catalytic performance on the various exposed facets has a huge difference for electrochemical nitrate reduction reactions (NO RR). Herein, we fabricate Co O hexagonal nanosheets with various exposed facets, including {112}, {112}&{111}, and {111} facet. The reaction pathways of NO RR on various facets are elucidated via in-situ electrochemical characterizations and density functional theory (DFT) investigations. Interestingly, as the dominated facet of Co O transform from {112} to {111}, the rate-determining step (RDS) changes from *NO →*NO H to *NO H→*NO , and the energy barrier also decreases to 0.48 eV. And {111} facet promotes the hydrogenation of NO and NH intermediates. Notably, Co O -{111} catalyst shows an excellent NO RR performance with the NH yield of 5.73 mg mg h , which outperforms most of the reported activities.
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