催化作用
化学
钴
杂原子
吸附
离解(化学)
碳纤维
密度泛函理论
氢
无机化学
纳米技术
材料科学
物理化学
计算化学
有机化学
复合材料
复合数
戒指(化学)
作者
P. W. Zhao,Cheng Peng,Qicheng Zhang,Xiaobin Fan,Jie Chen,Yuanzhi Zhu,Yong Min
标识
DOI:10.1016/j.cej.2023.142037
摘要
Electrocatalysts for high current density hydrogen evolution reaction (HER) under alkaline conditions is critical for the widespread application of water electrolysis. Carbon-supported single-atom catalysts (SACs) stabilized by N atoms have been demonstrated as efficient electrocatalysts, but mostly for acidic HER. For alkaline HER, although defective-, edge-, and dual-sites have been found to improve the adsorption pathways of the intermediates, there is still a great challenge to precisely synthesize those complex configurations in experiments to maximize the synergistic effects. Since C atom has relatively weak electronegativity than N atom, it can induce different charge redistribution of the metal atom center. However, the reported C-coordinated SACs were derived from the N-containing precursors, which could not exclude the influence of heteroatoms on the activity completely. Herein, we reported the synthesis of carbon-coordinated CoC4 sites and ultra-small Co cluster directly embedded on pure carbon cloth (Co-SA/CC) via the high temperature shockwave (HTS) method. The C atoms on the first coordination shell can tune the local electronic structure and up-shift the d-band center of the Co atom, thus strengthening H2O molecule adsorption and promoting water dissociation. The self-supporting electrode with CoC4 can lower the interfacial contact resistance, leading to higher HER performance compared with that of Pt/C at high current density (e.g. 1000 mA/cm2). These results provide a new insight into the fundamental understanding of design and synthesis of C-coordinated atomically dispersed catalytic sites.
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