过电位
析氧
纳米孔
密度泛函理论
电催化剂
材料科学
电解水
化学工程
纳米技术
电解
化学物理
化学
电化学
电极
物理化学
计算化学
电解质
工程类
作者
Kyu‐Su Kim,Shin-Ae Park,Hyun Dong Jung,Sang‐Mun Jung,Hyunje Woo,Docheon Ahn,Sarah S. Park,Seoin Back,Yong‐Tae Kim
标识
DOI:10.1021/acscatal.2c00856
摘要
The advancement of water electrolysis technology has seemingly plateaued. Further advances require new strategies to address the key limitations of the oxygen evolution reaction: high overpotential and low stability of electrode materials. Herein, we designed a nanoporous Ir3Co-core@IrO2-shell electrocatalyst with 5 and 3 times higher mass activity and 6 and 2 times higher activity–stability factors than conventional IrO2 nanoparticles and Ir nanoporous electrocatalysts, respectively. The origin of the performance enhancement in the Ir3Co-core@IrO2-shell electrocatalyst was revealed in computational density functional theory calculations. The residual Co after the dealloying process resulted in a down-shift of the d-band center position, thus weakening the −OH* adsorption energy. In addition, the electronic conductivity was enhanced by the three-dimensionally interconnected structure. Under high-current-density operating conditions, the Ohmic losses were reduced by the ultrafast charge transfer pathway provided by the metallic IrCo core.
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