A spatial homojunction of titanium vacancies decorated with oxygen vacancies in TiO2 and its directed charge transfer

• Published in: Nanoscale Vol. 14; no. 36; pp. 13373 - 13377
• Main Authors: Si-Ming, Wu, Yi-Tian, Wang, Shi-Tian, Xiao, Li-Ying, Wang, Tian, Ge, Jiang-Bo, Chen, Jia-Wen, Liu, Menny Shalom, Xiao-Yu, Yang
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 22.09.2022
• Subjects: Charge density; Charge transfer; Density functional theory; Homojunctions; NMR spectroscopy; Oxygen; Seawater; Titanium; Titanium dioxide; Vacancies; X ray photoelectron spectroscopy
• ISSN: 2040-3364; 2040-3372; 2040-3372
• DOI: 10.1039/d2nr03877c

The n–p homojunction design in semiconductors could enable directed charge transfer, which is promising but rarely reported. Herein, TiO2 with a spatial n–p homojunction has been designed by decorating TiO2 nanosheets with Ti vacancies around nanostructured TiO2 with O vacancies. 2D 1H 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.