The simultaneous effect of 3d impurities of transition metals and oxygen vacancy defect on TiO2 anatase and rutile

The simultaneous effect of 3d impurities of transition metals and oxygen vacancy defect on TiO2 anatase and rutile

In this work, the formation of oxygen-vacancy defect in 3d metals-doped TiO2 anatase and rutile structures is first investigated. The systematic calculations of formation energy, crystalline stability, band structure and density of state (DOS) of TiO2 samples of anatase and rutile doped with 3d tran...

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Bibliographic Details
Main Authors:	S M Esfandfard, M R Elahifard, R Behjatmanesh-Ardakani, H Kargar
Format:	Article
Language:	English
Published:	Isfahan University of Technology 2019-06-01
Series:	Iranian Journal of Physics Research
Subjects:	TiO2-based photocatalysts anatase and rutile oxygen-vacancy defect 3d-transition matals band structure and density of state
Online Access:	http://ijpr.iut.ac.ir/browse.php?a_code=A-10-3131-1&slc_lang=en&sid=1

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