Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Gaberle, Julian, Shluger, Alexander
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
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