Enhancing photocatalytic overall water-splitting performance on dual-active-sites of the Co–P@MoS<sub>2</sub> catalysts: a DFT study
Jing Ma, Xin Wang, Dongchun Yang, Jianhua Fan, Xiaoyong Lai, R. I. Eglitis, Ying-Tao Liu
Abstract
Basal plane of Co–P@MoS 2 was found to be prominently stabilized by Co–P band, and the synergy of dual-active sites significantly improves OER and HER performance.
Topics & Concepts
CatalysisWater splittingDensity functional theoryDissociation (chemistry)PhotocatalysisPhotochemistryHydrogen atomPhotocatalytic water splittingCobaltHydrogenElectron transferBasal planeOxygen evolutionChemistryActive siteChemical physicsMaterials scienceComputational chemistryInorganic chemistryPhysical chemistryCrystallographyElectrochemistryBiochemistryAlkylOrganic chemistryElectrodeAdvanced Photocatalysis TechniquesElectrocatalysts for Energy ConversionAdvanced Nanomaterials in Catalysis