Engineering high-spin state cobalt cations in spinel zinc cobalt oxide for spin channel propagation and active site enhancement in water oxidation

• Main Authors: Sun, Yuanmiao, Ren, Xiao, Sun, Shengnan, Liu, Zheng, Xi, Shibo, Xu, Jason Zhichuan
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2022
• Subjects: Engineering::Materials; Active Site; High-Spin Cobalt Cation
• Online Access: https://hdl.handle.net/10356/155670
• Institution: Nanyang Technological University

Spinel zinc cobalt oxide (ZnCo2 O4 ) is not considered as a superior catalyst for the electrochemical oxygen evolution reaction (OER), which is the bottleneck reaction in water-electrolysis. Herein, taking advantage of density functional theory (DFT) calculations, we find that the existence of low-s...