Crystallinity-dependent structural evolution of CoS₂ catalysts for enhanced oxygen evolution reaction.

ABSTRACT: Transition metal sulfides (TMSs) are promising catalysts for water oxidation due to their unique electronic properties, but their application is limited by structural instability during the oxygen evolution reaction (OER). The specific mechanisms by which crystallinity variations in TMSs influence their structural evolution and catalytic performance remain poorly understood. Here, we investigate the structural evolution of CoS₂ catalysts with varying crystallinities and their effect on the OER. In-situ characterization and density functional theory (DFT) calculations reveal that lower crystallinity enables rapid equilibrium among surface sulfur-oxygen exchange, metal site activation, and oxygen intermediate evolution, enhancing the transformation of bulk phase into small amounts

SUBMITTER: Zhang N 

PROVIDER: S-EPMC12540841 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature