Orbital hybridization-guided BiOX (X = F, Cl, Br, I) photocatalysts: halogen-induced bandgap engineering and performance optimization
Yunxiang Zhang, Han Wang, Li Huang, Jikun Chen, Chenglong Wu, Keshun Nie, Yiran Liang, Zhongjie Wang, Qinfang Zhang
Topics & Concepts
Materials scienceBand gapDensity functional theoryHalogenConduction bandOptoelectronicsRedoxValence (chemistry)Lattice (music)SemiconductorElectronic band structureValence bandDirect and indirect band gapsPhotocatalysisWide-bandgap semiconductorThermal conductionHalogen lampNanotechnologyCondensed matter physicsHybrid functionalSemimetalLattice constantAb initioChemical physicsAdvanced Photocatalysis Techniques2D Materials and ApplicationsCrystal Structures and Properties