期刊
ADVANCED FUNCTIONAL MATERIALS
卷 29, 期 30, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adfm.201902449
关键词
nickelates; orbital occupancy; oxygen evolution reaction; oxygen vacancy; perovskite
类别
资金
- National Natural Science Foundation of China [51372056, 51472064, 51672057, 51722205, 21471039, 21671047, 21871065]
- National Science Fund for Distinguished Young Scholars [51525201]
- Foundation for Innovative Research Groups of the National Natural Science Foundation of China [11421091]
- International Science & Technology Cooperation Program of China [2012DFR50020]
- Fundamental Research Funds for the Central Universities [HIT.BRETIV.201801]
- Science and Technology project of Shenzhen [JCYJ 20160506113431828]
- Natural Science Foundation of Heilongjiang Province [E2018032]
- Program for New Century Excellent Talents in University [NCET-13-0174]
Perovskite oxides have been explored as promising electrocatalysts for the oxygen evolution reaction (OER), while a lack of understanding of key factors impacting the catalytic activity restricts their further design and development. Here, for the first time, the contributions of oxygen vacancy (V-O) and orbital occupancy of B -site cations to the catalytic activity of NdNiO3 films are systematically investigated. It is found that OER activity follows a typical volcano-shaped dependence on the oxygen pressure. In the range of 0.2-10 Pa, proper concentration of V-O can provide a moderate bonding strength with intermediate hydroxyl OH star and the increased ratio of Ni3+/Ni2+ provides a more favorable occupancy of e(g) orbital for the catalytic activity; while in the range of 10-60 Pa, insufficient concentration of V-O leads to an enhanced strength of hybridization between Ni 3d and O 2p band and thus deteriorated catalytic activity. The superior OER catalytic performance can be only achieved with both appropriate concentration of VO and the ratio of B-site metal cations with different valences.
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