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Constructing High Efficiency CoZnx Mn2-x O4 Electrocatalyst by Regulating the Electronic Structure and Surface Reconstruction.
Zhao, Depeng; Zhang, Rui; Dai, Meizhen; Liu, Hengqi; Jian, Wei; Bai, Fu-Quan; Wu, Xiang.
Afiliação
  • Zhao D; School of Materials Science and Engineering, Shenyang University of Technology, Shenyang, 110870, P. R. China.
  • Zhang R; International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry and College of Chemistry, Jilin University, Changchun, 130023, P. R. China.
  • Dai M; School of Materials Science and Engineering, Shenyang University of Technology, Shenyang, 110870, P. R. China.
  • Liu H; School of Materials Science and Engineering, Shenyang University of Technology, Shenyang, 110870, P. R. China.
  • Jian W; International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry and College of Chemistry, Jilin University, Changchun, 130023, P. R. China.
  • Bai FQ; International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry and College of Chemistry, Jilin University, Changchun, 130023, P. R. China.
  • Wu X; Beijing National Laboratory for Molecular Sciences, Beijing, 100817, P. R. China.
Small ; 18(11): e2107268, 2022 Mar.
Article em En | MEDLINE | ID: mdl-35038228
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.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article