过电位
金属间化合物
催化作用
塔菲尔方程
纳米材料基催化剂
电催化剂
交换电流密度
甲酸
化学
材料科学
无机化学
阳极
合金
化学工程
电化学
冶金
物理化学
有机化学
工程类
电极
作者
Michelle M. Flores Espinosa,Tao Cheng,Mingjie Xu,Luca Abatemarco,Chungseok Choi,Xiaoqing Pan,William A. Goddard,Zipeng Zhao,Yu Huang
出处
期刊:ACS energy letters
[American Chemical Society]
日期:2020-11-03
卷期号:5 (12): 3672-3680
被引量:50
标识
DOI:10.1021/acsenergylett.0c01959
摘要
Hydrogen evolution reaction (HER) is a key reaction in hydrogen production through water electrolysis. Platinum (Pt) is the best-known element for HER catalysis. Due to the scarcity of Pt, the development of non-Pt nanocatalysts is desired to achieve broad scale implementations. Here we demonstrate that the PdCu nanostructure containing an intermetallic B2 phase (PdCu-B2) shows a smaller Tafel slope, higher exchange current density, and lower overpotential for HER compared to commercial Pt/C in acidic conditions. Density functional theory (DFT) calculations demonstrate that the improved HER performance in acidic conditions can be attributed to the decrease in the hydrogen binding energy (HBE) on the compressed intermetallic PdCu-B2, shifting the HBE to a more optimal position even compared to Pt/C. In addition, PdCu-B2 exhibits the highest mass activity toward the formic acid oxidation reaction, making it a good anode catalyst candidate for formic-acid-based fuel cells.
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