Understanding the effects of Cr doping in rutile TiO2 by DFT calculations and X-ray spectroscopy
Abstract The effects of Cr on local environment and electronic structure of rutile TiO2 are studied combining theoretical and experimental approaches. Neutral and negatively charged substitutional Cr impurities CrTi 0 and CrTi 1− as well as Cr-oxygen vacancy complex 2CrTi + VO are studied by the den...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2018-06-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-018-26728-3 |