The charge transfer feature and high photocatalytic activity of S-scheme TiO2/h-BN heterostructure from first-principles
Dongxiang Li, Ruiqin Li, Dantong Zhou, Fanjin Zeng, Wanjun Yan, Shaohong Cai
Topics & Concepts
HeterojunctionPhotocatalysisWater splittingBand bendingMaterials scienceElectron transferDensity functional theoryMonolayerBand gapRedoxElectronic band structureQuantum heterostructureOptoelectronicsChemical physicsNanotechnologyChemistryComputational chemistryPhotochemistryCondensed matter physicsPhysicsQuantum wellOpticsCatalysisLaserBiochemistryMetallurgyAdvanced Photocatalysis Techniques2D Materials and ApplicationsZnO doping and properties