Fig. 6: The mechanism of photocatalytic H2O2 production by TVCNMWCA-HEO.
From: Sustainable photocatalytic hydrogen peroxide production over octonary high-entropy oxide
a Time-resolved DRIFTS spectroscopy of changes on TVCNMWCA-HEO surface under illumination. Main changes in spectra related to the evolution of the reaction intermediates are marked with arrows. b Details on the spectral region with characteristic oxygen intermediate species vibration bands. c Charge density difference plots for H2O adsorption on the Mo and W sites of TCVNMWCA-HEO surface. Yellow and cyan represent electron accumulation and electron depletion, respectively. The isosurface value is 0.003 e/Bohr3. d Gibbs free energy (ΔG*OH) profiles on various catalytic sites of the TVCNMWCA-HEO surface. e Charge density difference plots for O2 adsorption on the V and Cu sites of TCVNMWCA-HEO. Yellow and cyan represent electron accumulation and electron depletion, respectively. The isosurface value is 0.0015 e/Bohr3. f Gibbs free energy (ΔG*OOH) profiles on various catalytic sites of the TVCNMWCA-HEO surface. These source data are provided as a Source Data file.
