CrS2 Supported Transition Metal Single Atoms as Efficient Bifunctional Electrocatalysts: A Density Functional Theory Study - Wang, Ying (ChemEngineering, 2025)
Keywords: Catalysis; Catalytic activity; Chemical reduction; chromium disulfide (CrS2); Density functional theory; Electrocatalysis; Electrocatalysts; Electrochemical potential; Energy conversion; First principles; Fuel cells; Interfacial bonding; Metals; oxygen evolution reaction (OER)/oxygen reduction reaction (ORR); Oxygen evolution reactions; Oxygen reduction reactions; Single atom catalysts; Transition metal compounds; transition metal single-atom catalyst