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. 2016 Oct 6;6:34765. doi: 10.1038/srep34765

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Copyright © 2016, The Author(s)

This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/

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(a) Valence-band XPS spectra of various TiO₂ samples. (b) A schematic illustration of supercells of anatase TiO₂ and 4B-TiO_2−x models (red, O atoms; blue, Ti atoms; green, B atoms). (c) Calculated DOS of Pure TiO₂, TiO_2−x, and various B-TiO_2−x. (d) Decomposition of the total DOS of 4B-TiO_2−x into partial DOS of Ti, O, and B orbitals. (e) Schematic illustration of the DOS of pure TiO₂, TiO_2−x and B-TiO_2−x.