Coordination chemistry in modulating electronic structures of perovskite-type oxide nanocrystals for oxygen evolution catalysis

Perovskite-type oxide nanocrystals (AxByOz) have attracted increasing interest as efficient oxygen evolu-tion reaction (OER) catalysts, which possess distinct thermal stability, ionic conductivity and electron mobility properties. Particularly, the electronic structure of perovskite-type nanocrystal plays a decisive role in electrocatalytic performance. Here, we systematically investigate the eg orbital filling, metal -oxygen hybridization, and electron correlations of perovskite-type oxide nanocrystals for high-performance OER catalysis. Meanwhile, the construction strategies for controlling the atomic configura-tions of adjacent sites and coordination environments in perovskite-type catalysts are also discussed for the rational design of efficient OER catalysts. Notably, we build a bridge between coordination environ-ments, electronic structures, and catalytic activity of catalysts by focusing on the physicochemical prop-erties of catalysts in terms of atom replacement, atom doping, and oxygen vacancy. This work would provide the readers with a comprehensive understanding and updated information towards the design of perovskite-type oxide nanocrystals with well-confined electronic properties for electrocatalysis. Finally, a perspective is given on the opportunities and further research directions of perovskite-based electrocatalysts for OER as well as the challenges involved in this task.(c) 2023 Elsevier B.V. All rights reserved.