First-principles study on the electronic structures and diffusion behaviors of intrinsic defects in BiOCl
Kang Xu, Zhongfei Xu, Liang Wang, Haifeng Feng, Feng Pan, Jincheng Zhuang, Yi Du, Weichang Hao
Topics & Concepts
Band gapFermi levelMaterials scienceSemiconductorChemical physicsDiffusionTernary operationDelocalized electronBismuthCondensed matter physicsElectronic structureConductivityCrystallographic defectWide-bandgap semiconductorChemistryOptoelectronicsComputational chemistryCrystallographyPhysical chemistryElectronThermodynamicsMetallurgyComputer scienceQuantum mechanicsOrganic chemistryPhysicsProgramming languageAdvanced Photocatalysis TechniquesElectronic and Structural Properties of OxidesGas Sensing Nanomaterials and Sensors