Theoretical screening of group IIIA-VIIA elements doping to promote hydrogen evolution of MoS2 basal plane
Zhitao Cui, Rongjian Sa, Wei Du, Chengwei Xiao, Qiaohong Li, Zuju Ma
Topics & Concepts
CatalysisDopingNanosheetDensity functional theoryBasal planeMonolayerAtom (system on chip)Materials scienceFermi levelChemistryHydrogen atomNanotechnologyChemical physicsElectronCrystallographyComputational chemistryGroup (periodic table)Organic chemistryPhysicsOptoelectronicsQuantum mechanicsEmbedded systemComputer scienceElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesMXene and MAX Phase Materials