N-Doped Carbon Confined NiCo Alloy Hollow Spheres as an Efficient and Durable Oxygen Electrocatalyst for Zinc-Air Batteries

Chemistry. 2023 May 26;29(30):e202300321. doi: 10.1002/chem.202300321. Epub 2023 Apr 19.

Abstract

Exploring cost-efficient/durability bifunctional electrocatalysts are of upmost importance for the practical application of metal-air batteries. However, preparing bifunctional electrocatalysts with the above three advantages remains conceptually challenging. This work reports the preparation of N-doped carbon confined NiCo alloy hollow spheres (NiCo@N-C HS) as bifunctional oxygen electrocatalyst for Zn-air battery with a higher energy density (788.7 mWh gZn -1 ) and outstanding cycling stability (over 200 h), which are more durable than the commercialized Pt/C+RuO2 -based device. Electrochemical results and theoretical calculation demonstrate that the synergy in the NiCo@N-C accelerates the electronic transmission for improving activation of O2 * and OH* intermediates and optimizing reacted free energy pathways, while the hollow structures exposure more active sites for improving the reaction kinetics and enhancing the activity of ORR/OER reaction. This work provides crucial understanding for constructing low-cost transition metal-based catalyst to overcome the efficiency and durability barriers of metal-air batteries for widespread applications.

Keywords: DFT calculations; NiCo alloy; Zn-air battery; hollow structure; oxygen electrocatalyst.