DFT screening of dual-atom catalysts on carbon nanotubes for enhanced oxygen reduction reaction and oxygen evolution reaction: comparing dissociative and associative mechanisms

• DOI: 10.1039/d4ta03519d
• Publication Date: 2024-09-27T09:01:12Z
• Authors: Xiangyi Zhou; Mohsen Tamtaji; Weijun Zhou; William A. Goddar...; GuanHua Chen

Compared with associative mechanism, dual-atom catalysts under different surface curvature conditions show enhanced activity for oxygen reduction reaction and oxygen evolution reaction in dissociative mechanism.