Density functional theory study on the electronic and photocatalytic properties of different phases for Ba2BiTaO6
Dan Hong, Wei Zeng, Bin Tang, Mi Zhong, Qi‐Jun Liu
Topics & Concepts
Monoclinic crystal systemPhotocatalysisPerovskite (structure)Band gapPhase (matter)Density functional theoryMaterials scienceHybrid functionalChemical physicsElectron transferRedoxChemistryComputational chemistryPhotochemistryCrystal structureOptoelectronicsCrystallographyCatalysisOrganic chemistryMetallurgyAdvanced Photocatalysis TechniquesPerovskite Materials and ApplicationsElectronic and Structural Properties of Oxides