The direct Z-scheme character and roles of S vacancy in BiOCl/Bi<sub>2</sub>S<sub>3</sub>-(001) heterostructures for superior photocatalytic activity: a hybrid density functional investigation
Wentao Wang, Zuoyin Liu, Hongwei Nie, Bo Kong
Abstract
The BiOCl/Bi 2 S 3 -(001) heterostructure is a direct Z-scheme photocatalyst. An S vacancy in BiOCl/Bi 2 S 3 -(001) can enhance its optical absorption, built-in electric field, hydrogen evolution reaction ability, and the difference in electron–hole mobility.
Topics & Concepts
PhotocatalysisCharacter (mathematics)HeterojunctionVacancy defectDensity functional theoryMaterials scienceScheme (mathematics)NanotechnologyChemistryChemical physicsOptoelectronicsComputational chemistryCrystallographyMathematicsCatalysisOrganic chemistryMathematical analysisGeometryAdvanced Photocatalysis TechniquesElectronic and Structural Properties of Oxides2D Materials and Applications