催化作用
电催化剂
选择性
铜
电化学
价(化学)
化学
金属
密度泛函理论
氢
过渡金属
化学物理
无机化学
物理化学
计算化学
电极
有机化学
作者
Lan Hui,Yurui Xue,Haitao Yu,Chao Zhang,Bolong Huang,Yuliang Li
出处
期刊:ChemPhysChem
[Wiley]
日期:2020-08-26
卷期号:21 (19): 2145-2149
被引量:40
标识
DOI:10.1002/cphc.202000579
摘要
Graphdiyne, as a magical support, can anchor zero valence metal atoms, providing us with an opportunity to develop emerging catalysts with the maximized active sites and selectivity. Herein we report high-performance atom catalysts (ACs), Cu0 /GDY, by anchoring Cu atoms on graphdiyne (GDY) for hydrogen evolution reaction (HER). The activity and selectivity of this catalyst are obviously superior to that of commercial 20 wt.% Pt/C, and the turnover frequency of 30.52 s-1 is 18 times larger than 20 wt.% Pt/C. Density functional theory (DFT) calculations demonstrate that the strong p-d coupling induced charge compensation leads to the zero valence state of the atomic-scaled transition metal catalyst. Our results show the strong advantages of graphdiyne-anchored metal atom catalysts in the field of electrochemical catalysis and opens up a new direction in the field of electrocatalysis.
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