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...
| Published in: | Materials Science Forum |
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| Main Author: | |
| Format: | Conference paper |
| Language: | English |
| Published: |
Trans Tech Publications Ltd
2016
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| 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 |