Investigating the Electronic Properties and Stability of Rh₃ Clusters on Rutile TiO₂ for Potential Photocatalytic Applications.

ABSTRACT: Addressing the pressing needs for alternatives to fossil fuel-based energy sources, this research explores the intricate interplay between Rhodium (Rh₃) clusters and titanium dioxide (TiO₂) to improve photocatalytic water splitting for the generation of eco-friendly hydrogen. This research applies the density functional theory (DFT) coupled with the Hartree-Fock theory to meticulously examine the structural and electronic structures of Rh₃ clusters on TiO₂ (110) interfaces. Considering the photocatalytic capabilities of TiO₂ and its inherent limitations in harnessing visible light, the potential for metals such as Rh₃ clusters to act as co-catalysts is assessed. The results show that triangular Rh₃ clusters demons

SUBMITTER: Alotaibi M 

PROVIDER: S-EPMC11206997 | biostudies-literature | 2024 Jun

REPOSITORIES: biostudies-literature