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The role of surface reduction in the formation of Ti interstitials
Density functional theory simulations are used to investigate the formation and mobility of Ti interstitial ions, Ti(i), at the (110) surface of rutile TiO(2). Interstitials were found to be favoured in the second layer below the surface plane, where they induce electron polaron states at surface an...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063666/ https://www.ncbi.nlm.nih.gov/pubmed/35515850 http://dx.doi.org/10.1039/c9ra01015g |