过电位
离解(化学)
催化作用
塔菲尔方程
密度泛函理论
异质结
化学
吸附
氢
分解水
材料科学
活化能
结合能
化学工程
无机化学
化学物理
物理化学
计算化学
原子物理学
光电子学
电极
光催化
生物化学
有机化学
电化学
工程类
物理
作者
Yueying Yan,Meng Tian,Yuting Chen,Yang Yang,Dewen Wang,Zhicai Xing,Xiurong Yang
标识
DOI:10.1016/j.jechem.2023.09.028
摘要
The slow water dissociation is the rate-determining step that slows down the reaction rate in alkaline hydrogen evolution reaction (HER). Optimizing the surface electronic structure of the catalyst to lower the energy barrier of water dissociation and regulating the binding strength of adsorption intermediates are crucial strategy for boosting the catalytic performance of HER. In this study, RuO2/BaRuO3 (RBRO) heterostructures with abundant oxygen vacancies and lattice distortion were in-situ constructed under a low temperature via the thermal decomposition of gel-precursor. The RBRO heterostructures obtained at 550 °C exhibited the highest HER activity in 1 M KOH, showing an ultra-low overpotential of 16 mV at 10 mA cm−2 and a Tafel slope of 33.37 mV dec−1. Additionally, the material demonstrated remarkable durability, with only 25 mV of degradation in overpotential after 200 h of stability testing at 10 mA cm−2. Density functional theory calculations revealed that the redistribution of charges at the heterojunction interface can optimize the binding energies of H* and OH* and effectively lower the energy barrier of water dissociation. This research offers novel perspectives on surpassing the water dissociation threshold of alkaline HER catalysts by means of a systematic design of heterogeneous interfaces.
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