The origin of enhanced photocatalytic activity in g-C3N4/TiO2 heterostructure revealed by DFT calculations
Xiaohui Yu, Juan Xie, Qinqin Liu, Huilong Dong, Youyong Li
Topics & Concepts
HeterojunctionPhotocatalysisAnataseMaterials scienceDensity functional theoryPassivationMonolayerCharge carrierDopingvan der Waals forceCharge densityChemical physicsNanotechnologyOptoelectronicsChemistryComputational chemistryCatalysisLayer (electronics)MoleculePhysicsQuantum mechanicsBiochemistryOrganic chemistryAdvanced Photocatalysis TechniquesQuantum Dots Synthesis And Properties2D Materials and Applications