纳米孔
法拉第效率
电催化剂
材料科学
催化作用
化学工程
氨
电化学
可逆氢电极
密度泛函理论
氨生产
氮气
合金
无机化学
氧化还原
电极
纳米技术
冶金
化学
物理化学
有机化学
计算化学
工作电极
工程类
作者
Yuhuan Cui,Anqi Dong,Yanbin Qu,Junyu Zhang,Ming Zhao,Zhili Wang,Qing Jiang
标识
DOI:10.1016/j.cej.2021.131843
摘要
Electrocatalytic nitrogen reduction reaction (NRR) is a highly attractive route for the synthesis of ammonia. However, the efficiency of the electrocatalytic NRR remains low because of the lack of effective catalyst. Here we use density functional theory (DFT) to investigate the effect of alloying Cu with Mn on NRR performance, showing that the incorporation of Mn into Cu structure can greatly improve the NRR performance. Based on the DFT results, we employ a dealloying method to prepare nanoporous CuMn (np-CuMn) alloy as the electrocatalyst for NRR. Thanks to the synergy between Cu and Mn and the nanoporous structure, the as-prepared np-CuMn alloy exhibits a high ammonia yield rate of 28.9 μg h−1 cm−2 with a Faradaic efficiency of 9.83% at −0.3 V versus reversible hydrogen electrode under ambient conditions. Both values are higher than those obtained for most of the reported noble metal catalysts under similar conditions. Our findings offer an opportunity to design high performance NRR catalyst for ammonia synthesis.
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