Tuning the electronic structure of BaTiO<sub>3</sub> for an enhanced photocatalytic performance using cation–anion codoping: a first-principles study
Yumeng Fo, Yanxia Ma, Hao Dong, Xin Zhou
Abstract
(Mo + C)-, (W + C)-, (Mo + 2N)- and (W + 2N)-codoped BaTiO<sub>3</sub> are predicted to be promising photocatalysts for water splitting under visible-light-irradiation.
Topics & Concepts
ChemistryPhotocatalysisIonIrradiationVisible spectrumElectronic structurePhotochemistryInorganic chemistryNanotechnologyOptoelectronicsComputational chemistryCatalysisOrganic chemistryNuclear physicsPhysicsMaterials scienceAdvanced Photocatalysis TechniquesElectronic and Structural Properties of OxidesCopper-based nanomaterials and applications