文献类型：期刊文献

英文题名：Adjusting grain boundary within NiCo2O4rod arrays by phosphating reaction for efficient hydrogen production

作者：Ma, Xianguo Wang, Zining Wang, Zhihao Cui, Mengqi Wang, Hui Ren, Jianwei Karimzadeh, Sina

第一作者：马先果

机构：[1] School of Chemical Engineering, Guizhou Institute of Technology, Guiyang, 550003, China; [2] State Key Laboratory Base for Eco-Chemical Engineering, College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao, 266042, China; [3] Department of Mechanical Engineering Science, University of Johannesburg, Cnr Kingsway and University Roads, Auckland Park, Johannesburg, 2092, South Africa

第一机构：贵州理工学院化学工程学院

通信机构：State Key Laboratory Base for Eco-Chemical Engineering, College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao, 266042, China

年份：2022

卷号：33

期号：24

外文期刊名：Nanotechnology

收录：EI(收录号：20221611966265);Scopus(收录号：2-s2.0-85128001551)

语种：英文

外文关键词：Catalyst activity - Hydrogen production - Grain boundaries - Density functional theory - Phosphorus - Cobalt compounds - Electronic structure - Nanorods

摘要：In this work, the density and electronic structures of the metal active sites in NiCo2O4 nanorod arrays were concurrently tuned by controlling the sample's exposure time in a phosphorization process. The results showed that both the density and electronic structure of the active adsorption sites played a key role towards the catalytic activity for water splitting to produce hydrogen. The optimal catalyst exhibited 81 mV overpotential for hydrogen evolution reaction (HER) at 10 mA cm-2 and 313 mV overpotential towards oxygen evolution reaction at 50 mA cm-2. The assembled electrode delivered a current density of 50 mA cm-2 at 1.694 V in a fully functional water electrolyzer. The further results of theoretical density functional theory calculations revealed the doping of P elements lowered down the H adsorption energies involved in the water splitting process on the various active sites of P-NiCo2O4-10 catalyst, and thus enhanced its HER catalytic activities. ? 2022 IOP Publishing Ltd.