过电位
协调数
材料科学
催化作用
铂金
Atom(片上系统)
密度泛函理论
氢
再分配(选举)
化学物理
结晶学
物理化学
离子
计算化学
化学
电极
电化学
有机化学
政治
政治学
计算机科学
法学
嵌入式系统
作者
Xing Cheng,Yue Lu,Lirong Zheng,Yi‐Tao Cui,Masahito Niibe,Takashi Tokushima,Hongyi Li,Yuefei Zhang,Ge Chen,Shaorui Sun,Jiujun Zhang
出处
期刊:Nano Energy
[Elsevier]
日期:2020-07-01
卷期号:73: 104739-104739
被引量:63
标识
DOI:10.1016/j.nanoen.2020.104739
摘要
The manipulation of central atom coordination environments can greatly boost catalytic performances and promote the understanding of associated mechanisms in both sub-nanometer clusters and atomically dispersed catalysts. In this study, sub-nanometer "raft"-like PtNx clusters were synthesized on a TiO2 support, and the significant enhancement effects of the Pt–N coordination structure on the performance of hydrogen evolution reaction (HER) are demonstrated. In acidic media, the PtNx catalyst display a superior HER activity (37.5 A mg-1 Pt) and turnover frequencies (37.9H2 s-1) at overpotential of 50 mV; outperforming commercial Pt/C by a factor of 13.3 and 3.9, respectively. Density functional theory (DFT) calculation results reveal that the charge transfer occur from the N to the neighboring Pt atoms when the hydrogen is adsorbed on N atoms; such a charge redistribution within Pt–N coordination structure leads to a smaller H* free energies on the activated N atoms, and is believed to account for the higher HER activity.
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