过电位
析氧
密度泛函理论
材料科学
电化学
兴奋剂
催化作用
曲面重建
氧气
镍
价(化学)
吸附
纳米技术
化学工程
化学物理
物理化学
化学
光电子学
电极
计算化学
曲面(拓扑)
冶金
几何学
生物化学
数学
有机化学
工程类
作者
Dae-Kyu Kim,Sumin Park,Juhyung Choi,Yuanzhe Piao,Yoon Suk Lee
出处
期刊:Small
[Wiley]
日期:2023-09-19
卷期号:20 (5)
被引量:1
标识
DOI:10.1002/smll.202304822
摘要
The generation of an active phase through dynamic surface reconstruction is a promising strategy for improving the activity of electrocatalysts. However, studies investigating the reconstruction process and its impact on the intrinsic properties of the catalysts are scarce. Herein, the surface reconstruction of NiFe2 O4 interfaced with NiMoO4 (Ru-NFO/NMO) facilitated by Ru doping is reported. The electrochemical and material characterizations demonstrate that Ru doping can regulate the electronic structure of NFO/NMO and induce the high-valence state of Ni3.6+δ , facilitating the surface reconstruction to highly active Ru-doped NiFeOOH/NiOOH (SR-Ru-NFO/NMO). The optimized SR-Ru-NFO/NMO exhibits promising performance in the oxygen evolution reaction, displaying a low overpotential of 229 mV at 10 mA cm-2 and good stability at varying current densities for 80 h. Density functional theory calculations indicate that Ru doping can increase the electron density and optimize intermediate adsorption by shifting the d-band center downward. This work provides valuable insights into the tuning of electrocatalysts by surface reconstruction and offers a rational design strategy for the development of highly active oxygen evolution reaction electrocatalysts.
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