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Enhanced Electrocatalytic Oxygen Evolution Activity by Tuning Both the Oxygen Vacancy and Orbital Occupancy of B‐Site Metal Cation in NdNiO 3
Author(s) -
Hu Chang,
Wang Xianjie,
Yao Tai,
Gao Tangling,
Han Jiecai,
Zhang Xinghong,
Zhang Yumin,
Xu Ping,
Song Bo
Publication year - 2019
Publication title -
advanced functional materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 6.069
H-Index - 322
eISSN - 1616-3028
pISSN - 1616-301X
DOI - 10.1002/adfm.201902449
Subject(s) - catalysis , oxygen evolution , materials science , oxygen , perovskite (structure) , metal , vacancy defect , inorganic chemistry , chemistry , crystallography , metallurgy , electrode , electrochemistry , biochemistry , organic chemistry
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 NdNiO 3 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* and the increased ratio of Ni 3+ /Ni 2+ 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 V O and the ratio of B‐site metal cations with different valences.