Structural, electronic and optical properties of Nd-doped anatase TiO2 for dye-sensitized solar cells from density functional theory

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Structural, electronic and optical properties of Nd-doped anatase TiO2 for dye-sensitized solar cells from density functional theory

The structural, electronic and optical properties of pure and neodymium (Nd) doped anatase titanium dioxide (TiO2) are investigated via first-principles calculations within density functional theory (DFT) approach. The band gap reduces to ~0.398 eV when Ti4+ is substituted with Nd3+ in TiO2 crystal...

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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-s2.0-84964889566&doi=10.4028%2fwww.scientific.net%2fMSF.846.726&partnerID=40&md5=086915c7118e370642d351f3f5913c2e

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