Oxygen Dependence of Formation, Electronic State Transition, and Spin Polarization for Anatase TiO2: A Comprehensive Study

The stability, geometry, microstructure, and specie combination together with the electronic states of the anatase TiO2 with oxygen defect content of 0%, 3.125%, 6.25%, and 12.5% have been intensively studied within the framework of the density functional theory method. The results show that the TiO...

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Bibliographic Details
Main Authors: L. L. Shan, R. M. Fan, Y. Sun, F. P. Zhang, G. L. Zhang, G. Q. Qin
Format: Article
Language:English
Published: Wiley 2022-01-01
Series:Advances in Condensed Matter Physics
Online Access:http://dx.doi.org/10.1155/2022/4709525
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