Electronic configuration regulation of single-atomic Mn sites mediated by Mo/Mn clusters for an efficient hydrogen evolution reaction.

ABSTRACT: Tuning the electron distribution of metal single-atom active sites via bimetallic clusters is an effective way to enhance their hydrogen evolution reaction (HER) activity, but remains a great challenge. A biochar-based electrocatalyst (BC_MoMn800-2) with both MnN₄ active sites and Mo₂C/Mn₇C₃ clusters was synthesized using in situ enriched Mo/Mn biomass as a precursor to trigger the HER. Various characterization and density functional theory (DFT) calculation results indicated that the presence of Mo₂C/Mn₇C₃ clusters in BC_MoMn800-2 effectively induced the redistribution of charges at MnN₄ sites, reducing the energy of H* activation during the HER. In 0.5 M H₂

SUBMITTER: Zhang C 

PROVIDER: S-EPMC10829028 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature