双原子分子
催化作用
电催化剂
法拉第效率
选择性
金属
无机化学
密度泛函理论
电解
吸附
过渡金属
解吸
化学
材料科学
化学工程
分子
物理化学
计算化学
电化学
电极
有机化学
工程类
电解质
作者
Wenhao Ren,Xin Tan,Wanfeng Yang,Chen Jia,Shumao Xu,Wu Xue,Sean C. Smith,Chuan Zhao
标识
DOI:10.1002/anie.201901575
摘要
Abstract Polynary single‐atom structures can combine the advantages of homogeneous and heterogeneous catalysts while providing synergistic functions based on different molecules and their interfaces. However, the fabrication and identification of such an active‐site prototype remain elusive. Here we report isolated diatomic Ni‐Fe sites anchored on nitrogenated carbon as an efficient electrocatalyst for CO 2 reduction. The catalyst exhibits high selectivity with CO Faradaic efficiency above 90 % over a wide potential range from −0.5 to −0.9 V (98 % at −0.7 V), and robust durability, retaining 99 % of its initial selectivity after 30 hours of electrolysis. Density functional theory studies reveal that the neighboring Ni‐Fe centers not only function in synergy to decrease the reaction barrier for the formation of COOH* and desorption of CO, but also undergo distinct structural evolution into a CO‐adsorbed moiety upon CO 2 uptake.
科研通智能强力驱动
Strongly Powered by AbleSci AI