过电位
催化作用
磷化物
氢
密度泛函理论
材料科学
无机化学
解吸
银杏
碳纤维
活性炭
化学
碳化物
化学工程
物理化学
吸附
计算化学
有机化学
电化学
复合材料
电极
医学
复合数
工程类
传统医学
作者
Qichang Wang,Zhaofu Fei,Dekui Shen,Chongbo Cheng,Paul J. Dyson
出处
期刊:Small
[Wiley]
日期:2024-01-04
卷期号:20 (21): e2309830-e2309830
被引量:14
标识
DOI:10.1002/smll.202309830
摘要
Iron/iron phosphide nanospheres supported on ginkgo leaf-derived carbon (Fe&FeP@gl-C) are prepared using a post-phosphidation approach, with varying amounts of iron (Fe). The activity of the catalysts in the hydrogen evolution reaction (HER) outperforms iron/iron carbide nanospheres supported on ginkgo leaf-derived carbon (Fe&FexC@gl-C), due to enhanced work function, electron transfer, and Volmer processes. The d-band centers of Fe&FeP@gl-C-15 move away from the Fermi level, lowering the H2 desorption energy and accelerating the Heyrovsky reaction. Density functional theory (DFT) calculations reveal that the hydrogen-binding free energy |ΔGH*| value is close to zero for the Fe&FeP@gl-C-15 catalyst, showing a good balance between Volmer and Heyrovsky processes. The Fe&FeP@gl-C-15 catalyst shows excellent hydrogen evolution performance in 0.5 m H2SO4, driving a current density of 10 mA cm-2 at an overpotential of 92 mV. Notably, the Fe&FeP@gl-C-15 catalyst outperforms a 20 wt% Pt/C catalyst, with a smaller overpotential required to drive a higher current density above 375 mA cm-2.
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