A spatial homojunction of titanium vacancies decorated with oxygen vacancies in TiO<sub>2</sub> and its directed charge transfer
Si‐Ming Wu, Yitian Wang, Shi‐Tian Xiao, Liying Wang, Ge Tian, Jiangbo Chen, Jiawen Liu, Menny Shalom, Xiaoyu Yang
Abstract
H TQ-SQ MAS NMR, EPR and XPS show the junction of titanium vacancies and oxygen vacancies at the interface. This spatial homojunction contributes to a significant enhancement in photoelectrochemical and photocatalytic performance, especially photocatalytic seawater splitting. Density functional theory calculations of the charge density reveal the directional n-p charge transfer path at the interface, which is proposed at the atomic-/nanoscale to clarify the generation of rational junctions. The spatial n-p homojunction provides a facile strategy for the design of high-performance semiconductors.
Topics & Concepts
HomojunctionMaterials scienceDensity functional theoryChemical physicsSemiconductorPhotocatalysisX-ray photoelectron spectroscopyTitaniumOptoelectronicsNanotechnologyChemical engineeringHeterojunctionComputational chemistryChemistryCatalysisMetallurgyBiochemistryEngineeringAdvanced Photocatalysis TechniquesPerovskite Materials and ApplicationsCopper-based nanomaterials and applications