文献类型：期刊文献

英文题名：Adjusting grain boundary within NiCo2O4 rod 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

通信作者：Cui, MQ[1]

机构：[1]Guizhou Inst Technol, Sch Chem Engn, Guiyang 550003, Peoples R China;[2]Qingdao Univ Sci & Technol, Coll Chem Engn, State Key Lab Base Ecochem Engn, Qingdao 266042, Peoples R China;[3]Univ Johannesburg, Dept Mech Engn Sci, Cnr Kingsway & Univ Rd, ZA-2092 Johannesburg, South Africa

第一机构：贵州理工学院化学工程学院

通信机构：corresponding author), Qingdao Univ Sci & Technol, Coll Chem Engn, State Key Lab Base Ecochem Engn, Qingdao 266042, Peoples R China.

年份：2022

卷号：33

期号：24

外文期刊名：NANOTECHNOLOGY

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000778081300001)】；

基金：The authors would like to thank the National Natural Science Foundation of China (Nos. 21766032), Key Technology Research and Development Program of Shandong Province of China (No. 2019GGX103029) and the Natural Science Foundation of Shandong Province of China (ZR2020MB024) for financially supporting this work.

语种：英文

外文关键词：electronic structure; grain boundary; P-doped NiCo2O4 catalyst; DFT calculation; overall water splitting

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.