Fig. 5: Correlation of OER mechanism with different spin configuration.

a The OER process of Co0.8Mn0.2-MOF with HS and LS configuration. b Free energies of OER steps at different reactive sites with HS and LS configuration. c The top panel: the charge density difference of adsorbed *OH onto Co site. The bottom panel: the crystal orbital Hamilton population (COHP) of adsorbed *OH onto Co site. d Raman spectra of the Co0.8Mn0.2-MS MOF sample with applying different potentials. e The relative Raman intensity as a function of applied potentials.