Density functional characterization of Bi-based photocatalysts: BiTaO4, Bi4Ta2O11 and Bi7Ta3O18
Juan Gao, Wei Zeng, Bin Tang, Mi Zhong, Qi‐Jun Liu
Topics & Concepts
Triclinic crystal systemMaterials scienceDensity functional theoryBand gapOrthorhombic crystal systemBismuthDirect and indirect band gapsCrystal structureCrystallographyComputational chemistryChemistryOptoelectronicsMetallurgyAdvanced Photocatalysis TechniquesPerovskite Materials and ApplicationsElectronic and Structural Properties of Oxides