First-principles study on structural, electronic and optical properties of TiO2 for dye-sensitized solar cells photoanode

First-principles study based on density functional theory (DFT) framework for structural, electronic and optical properties of titanium dioxide (TiO2) in anatase and rutile phases are investigated. Anatase phase exhibits wide band gap compare to rutile phase. The partial and total density of states...

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Bibliographic Details
Published in:Materials Science Forum
Main Author: Samat M.H.; Hussin N.H.; Taib M.F.M.; Yaakob M.K.; Samsi N.S.; Aziz S.S.S.A.; Yahya M.Z.A.; Ali A.M.M.
Format: Conference paper
Language:English
Published: Trans Tech Publications Ltd 2016
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-84964831132&doi=10.4028%2fwww.scientific.net%2fMSF.846.719&partnerID=40&md5=44fcd251be2cdd2e3f92a9f4029384c0