Modulating Electronic Correlations in Ruthenium Oxides for Highly Efficient Oxygen Evolution Reaction.

ABSTRACT: Elucidating the electronic factors dominating the adsorption properties of transition-metal oxides is essential to construct highly efficient oxygen-evolving catalysts for hydrogen production by water splitting but remains a great challenge. Electron correlation from on-site Coulomb repulsion (U) among d-electrons is generally believed to significantly affect the electronic structure of these materials; however, it has long been neglected in studying their adsorption properties. Here, by choosing ruthenium oxide as a model system, we demonstrate the role of electron correlation on the electrocatalytic activity toward oxygen evolution reaction (OER). Our density functional theory plus U calculations on rutile RuO₂ reveal that the electron correlation can tune the adsorptio

SUBMITTER: Miao X 

PROVIDER: S-EPMC11863164 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature