电催化剂
析氧
材料科学
掺杂剂
磷化物
镍
化学工程
无机化学
密度泛函理论
钴
兴奋剂
电化学
化学
冶金
电极
物理化学
计算化学
光电子学
工程类
作者
Kang Yao,Shuo Wang,Siqi Zhu,Haixing Gao,Kwan San Hui,Congcong Yuan,Huaiyu Li,Feng Bin,Xi Wu,Wenjie Mai,Zhu Luan,Maocong Hu,Feng Liang,Fuming Chen,Kwun Nam Hui
标识
DOI:10.1016/j.apcatb.2020.119786
摘要
Nickel cobalt phosphide (NiCoP) is emerging as a potential electrocatalyst towards oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). However, its ORR/OER activities are sluggish. Here, we investigated the roles of iron dopants in the Fe-doped NiCoP (Fe–NiCoP) in order to boost its ORR/OER kinetics. The density functional theory (DFT) calculations reveal that the Fe dopant effectively modulates the electron conductivity of NiCoP and reduces binding energies of the reaction intermediates towards rate-determining steps of ORR and OER. A binder-free 3D microflowers morphology of the Fe–NiCoP embedded in the amorphous carbon layer (Fe–[email protected]) catalyst on the nickel foam was prepared as the air cathode for the hybrid sodium-air battery (HSAB). The HSAB displays a discharge voltage of 2.74 V at 0.01 mA cm−2 with excellent round trip efficiency of 93.26 % at the 500th cycle and state-of-the-art power density of 621 mW g−1.
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