Two unexplored two-dimensional MSe2 (M = Cd, Zn) structures as the photocatalysts of water splitting and the enhancement of their performances by strain
Xinyi Yang, Yungang Zhou, Junjie He
Topics & Concepts
Water splittingDensity functional theoryHybrid functionalBand gapSemiconductorAb initioMaterials scienceHydrogenChemical physicsMolecular physicsChemistryComputational chemistryOptoelectronicsPhotocatalysisCatalysisOrganic chemistryBiochemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research