电催化剂
材料科学
析氧
化学工程
纳米技术
催化作用
电化学
密度泛函理论
分解水
过电位
作者
Depeng Zhao,Rui Zhang,Meizhen Dai,Hengqi Liu,Wei Jian,Fu-Quan Bai,Xiang Wu
出处
期刊:Small
[Wiley]
日期:2022-01-17
卷期号:: e2107268-e2107268
被引量:1
标识
DOI:10.1002/smll.202107268
摘要
It is an effective strategy to develop novel electrocatalysts with controllable defects to enhance their electrocatalytic activity and stability. However, how to precisely design these catalysts on the atom scale remains very difficult. Herein, several vacancy-dependent CoZnx Mn2-x O4 catalysts are prepared through tailoring the concentration of Zn ions. The in situ activation of the obtained products accelerates the surface reconstruction. The superior electrocatalytic performance can be ascribed to the formations of MOOH (Mn, Co) active species and abundant oxygen vacancies, which are comparable to noble IrO2 and Pt/C catalysts. Zn-CoMn2 O4 -1.5 catalyst delivers a cell voltage of 1.63 V and long durability. Density functional theory calculations demonstrate that the appropriate Zn ion doping can improve the density states of p electron on the surface of catalysts significantly and benefit the d-band center closing to Fermi level, suggesting their high charge carrier density and low adsorption energy.
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