Geometrical Stabilities and Electronic Structures of Rh₅ Nanoclusters on Rutile TiO₂ (110) for Green Hydrogen Production.

ABSTRACT: Addressing the urgent need for sustainable energy sources, this study investigates the intricate relationship between rhodium (Rh₅) nanoclusters and TiO₂ rutile (110) surfaces, aiming to advance photocatalytic water splitting for green hydrogen production. Motivated by the imperative to transition from conventional fossil fuels, this study employs density functional theory (DFT) with DFT-D3 and HSE06 hybrid functionals to analyse the geometrical stabilities and electronic structures of Rh₅ nanoclusters on TiO₂ rutile (110). TiO₂, a prominent photocatalyst, faces challenges such as limited visible light absorption, leading researchers to explore noble metals like Rh as cocatalysts. Our results show that bipyramidal Rh₅ nanocl

SUBMITTER: Alotaibi M 

PROVIDER: S-EPMC10819950 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature