Halogenation as a novel scheme for enhanced photocatalytic activity in AlSb monolayers: a first-principles study
Rifat Shahriar, Khondker Shihabul Hoque, Ahmed Zubair
Abstract
The novel scheme of halogenating an AlSb monolayer was proposed to enhance photocatalytic activity. The calculated solar-to-hydrogen efficiency was high with low barrier height in the Gibbs free energy profile and favorable band alignment.
Topics & Concepts
MonolayerPhotocatalysisGibbs free energyHalogenationHydrogen productionScheme (mathematics)Materials scienceBand gapPhotochemistryChemistryCatalysisNanotechnologyOptoelectronicsPhysicsOrganic chemistryMathematicsThermodynamicsMathematical analysis2D Materials and ApplicationsAdvanced Photocatalysis TechniquesPerovskite Materials and Applications