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Iron doped mesoporous cobalt phosphide with optimized electronic structure for enhanced hydrogen evolution
International Journal of Hydrogen Energy ( IF 8.1 ) Pub Date : 2022-03-24 , DOI: 10.1016/j.ijhydene.2022.02.223
Guoqing Huang 1 , Lei Zhao 1 , Shisheng Yuan 1 , Nan Li 1 , Shubo Jing 2
Affiliation  

We report a self-supporting electrode fabricated by covering iron doped mesoporous cobalt phosphide film on carbon cloth substrate (meso-FexCo1-xP/CC) for hydrogen evolution reaction (HER). In acidic and alkaline electrolytes, the electrode exhibited excellent catalytic activity and fast kinetics towards the HER, only requiring small overpotentials of 61 mV and 67 mV to drive 10 mA cm−2, respectively. The superior electrocatalytic activity is attributed to the mesoporous structure with high specific surface area (147.5 m2 g−1) and doping of Fe atom. The mesoporous structure grown on the conductive carbon cloth substrate enables the fully exposure of active sites and the rapid penetration of electrolyte. Additionally, density functional theory (DFT) calculation reveals that the doping of Fe enhances the adsorption of H atoms by shifting the d-band center of Co. Meanwhile, the introduction of Fe lowers the energy barrier for water dissociation, which accelerates the catalytic kinetics in alkaline electrolyte.



中文翻译:

具有优化电子结构的铁掺杂介孔磷化钴增强析氢

我们报道了一种自支撑电极,该电极通过在碳布基底(meso-Fe x Co 1-x P/CC)上覆盖铁掺杂的介孔磷化钴薄膜来进行析氢反应(HER)。在酸性和碱性电解质中,电极表现出优异的催化活性和对 HER 的快速动力学,分别只需要 61 mV 和 67 mV 的小过电势即可驱动 10 mA cm -2。优异的电催化活性归因于具有高比表面积(147.5 m 2  g -1 )的介孔结构) 和 Fe 原子的掺杂。在导电碳布基材上生长的介孔结构使活性位点充分暴露,电解液快速渗透。此外,密度泛函理论 (DFT) 计算表明,Fe 的掺杂通过移动 Co 的 d 带中心来增强 H 原子的吸附。同时,Fe 的引入降低了水离解的能垒,从而加速了催化动力学在碱性电解液中。

更新日期:2022-03-24
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