密度泛函理论
离解(化学)
联轴节(管道)
催化作用
电解质
电化学
解吸
异质结
化学物理
材料科学
吸附
电子结构
计算化学
光电子学
化学
物理化学
冶金
有机化学
电极
作者
Jinli Chen,Tianqi Yu,Zhixiang Zhai,Guangfu Qian,Shibin Yin
标识
DOI:10.1016/j.jechem.2023.01.060
摘要
Herein, the merits of heterojunction, CeO2, and W are employed to design and prepare the [email protected]2 heterojunction catalyst, which can accelerate water dissociation and improve the desorption of OHad, displaying efficient hydrogen evolution reaction (HER) performance in pH-universal conditions. Density functional theory calculation results reveal that the electronic structure of Pt is regulated by CeO2 and W, which tunes the Pt–Had bond strength to boost HER intrinsic activity. Consequently, electrochemical results display that it has low potentials of −26, −25, and −23 mV at −10 mA cm−2 in alkaline, neutral, and acidic solutions, respectively, and it can stably cycle for 50,000 cycles. Thus, this work provides the guidance for developing high-performance Pt-based catalysts in pH-universal environments.
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