| Literature DB >> 35038228 |
Depeng Zhao1, Rui Zhang2, Meizhen Dai1, Hengqi Liu1, Wei Jian2, Fu-Quan Bai2,3, Xiang Wu1,4.
Abstract
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.Entities:
Keywords: active species; density functional theory; doping engineering; electrocatalysts; oxygen vacancy; surface reconstruction
Year: 2022 PMID: 35038228 DOI: 10.1002/smll.202107268
Source DB: PubMed Journal: Small ISSN: 1613-6810 Impact factor: 13.281