First-principles study on the optical spectrum of N/P doped TiO2-anatase
Zhongliang Zeng, Mingyao Xu, Yunzhou Sun, Jiakun Xu, Yu Zhong
Topics & Concepts
AnatasePseudopotentialDensity functional theoryDopingBand gapMaterials sciencePhotocatalysisValence (chemistry)Electronic structureNanotechnologyOptoelectronicsCondensed matter physicsComputational chemistryChemistryPhysicsBiochemistryCatalysisOrganic chemistryTiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesCopper-based nanomaterials and applications