First-principles study of photocatalytic mechanism and charge transfer of PtS2/MoSe2 S-scheme heterojunction
Qizheng Zhuo, Yichuan Zhang, Zhongtian Fu, Tianfang Han, Xujie Liu, Jianliang Ou, Xinyang Xu
Topics & Concepts
HeterojunctionSemiconductorFermi levelBand bendingRedoxElectric fieldDensity functional theoryBand gapElectronElectron transferOptoelectronicsMaterials scienceCharge carrierWork functionChemistryCondensed matter physicsElectrodeComputational chemistryPhotochemistryPhysicsInorganic chemistryPhysical chemistryQuantum mechanics2D Materials and ApplicationsAdvanced Photocatalysis TechniquesGas Sensing Nanomaterials and Sensors