Evidence of direct Z-scheme triazine-based g-C<sub>3</sub>N<sub>4</sub>/BiOI (001) heterostructures: a hybrid density functional investigation
Zuoyin Liu, Jincheng Wang, Bo Kong, Zi-Xiang Liu, Tingting Song, Wentao Wang
Abstract
The g-C 3 N 4 /BiOI (001) heterostructure has a direct Z-scheme character, and the photo-generated electrons and holes can be separated and migrate high effectively. This is consistent with the experimental results.
Topics & Concepts
HeterojunctionElectronPhotocatalysisDensity functional theoryChemistryExcited stateElectric fieldValence (chemistry)Hybrid functionalMaterials scienceMolecular physicsAtomic physicsOptoelectronicsPhysicsComputational chemistryCatalysisQuantum mechanicsBiochemistryOrganic chemistryAdvanced Photocatalysis Techniques2D Materials and ApplicationsGa2O3 and related materials