分解水
硼
镍
电催化剂
杂原子
催化作用
阳极
材料科学
氢
析氧
密度泛函理论
电化学
无机化学
兴奋剂
化学工程
化学
纳米技术
电极
物理化学
计算化学
冶金
光电子学
有机化学
光催化
工程类
戒指(化学)
生物化学
作者
Tong Zhang,Fuzhan Song,Yuqin Qian,Hong Gao,Jeremy Shaw,Yi Rao
出处
期刊:ACS applied energy materials
[American Chemical Society]
日期:2021-06-03
卷期号:4 (6): 5434-5442
被引量:27
标识
DOI:10.1021/acsaem.0c03179
摘要
The development of efficient and earth-abundant multifunctional electrocatalysts is challenging yet critical for clean energy systems. Herein, we present the development of a heteroatom B-doping approach, namely, B-doped Ni (B-Ni), for multifunctional electrocatalysis. The B-Ni catalysts exhibited multifunctional activities in an alkaline solution, including the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and hydrogen oxidation reaction (HOR). The B-Ni catalysts, as both the cathode and the anode, showed outstanding water splitting performance with cell voltages of 1.62 and 1.74 V versus reversible hydrogen electrode (RHE) to achieve 10 and 100 mA cm–2, respectively. Furthermore, the B-Ni catalysts produced an HOR current density of 0.85 mA cm–2 at 0.1 V versus RHE. Density functional theory (DFT) calculations showed that the doped B atom can extract electrons from its adjacent Ni site, resulting in increased charge densities on the B site and a loss of charge densities on the surrounding Ni atoms. Such charge redistribution is favorable to the HOR and HER processes. The heteroatom-doping approach of the B-Ni catalyst provides an alternative strategy for the development of earth-abundant electrocatalysts in both energy storage and conversion.
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