Localized CdS homojunctions with optimal ratio of high and low index facets to dynamically boost H2O splitting into H2 energy

Localized CdS homojunctions with optimal ratio of high and low index facets are constructed to dynamically boost H2O splitting into H2 energy by hydrothermal method in combination with calcination. By density functional theory, hall effect, and in situ diffuse reflectance infrared Fourier transform spectroscopy, it is revealed that photo-irradiated e− and h+ can be spatially separated and directionally transferred to the reductive high-index facet {002} and oxidative low-index facet {110} of localized CdS homojunction induced by Fermi level difference of both high and low index facets to dehydrogenate *-OH and coupled *-O intermediates for H2 and O2 yield, respectively, along with a solar conversion into hydrogen of 1.93% by AM 1.5 G irradiation at 65 °C. The study work suggests a scientific perspective on the optimal ratio of high and low index facets to understand photo-generated charge carrier transfer dynamically and their photocatalytic principle for H2O splitting reaction in kinetics.