Compressed Intermetallic PdCu for Enhanced Electrocatalysis
Compressed Intermetallic PdCu for Enhanced Electrocatalysis
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DOI：
10.1021/acsenergylett.0c01959
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发表时间：
2020-12-11
影响因子：
22
通讯作者：
Huang, Yu
中科院分区：
文献类型：
--
作者：
Espinosa, Michelle M. Flores;Cheng, Tao;Huang, Yu
析氢反应是电解水制氢过程中的关键反应。铂是她最著名的催化元素。由于铂的稀缺性，开发非铂纳米催化剂以实现广泛的应用是必要的。在这里，我们证明了含有金属间化合物B2相的PdCu纳米结构(PdCu-B2)在酸性条件下表现出较小的Tafel斜率、较高的交换电流密度和较低的过电位。密度泛函理论(DFT)计算表明，HER在酸性条件下性能的改善可以归因于压缩的金属间化合物PdCuB2上氢键结合能的降低，使HBE移动到比PtC更优的位置。此外，PdCuB2对甲酸氧化反应表现出最高的质量活性，使其成为甲酸燃料电池的良好阳极催化剂。
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.