Predictive Removal of Interfacial Defect-Induced Trap States between Titanium Dioxide Nanoparticles via Sub-Monolayer Zirconium Coating

[Image: see text] First principles modeling of anatase TiO(2) surfaces and their interfacial contacts shows that defect-induced trap states within the band gap arise from intrinsic structural distortions, and these can be corrected by modification with Zr(IV) ions. Experimental testing of these pred...

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Detalles Bibliográficos
Autores principales: Debgupta, Joyashish, Lari, Leonardo, Isaacs, Mark, Carey, John, McKenna, Keith P., Lazarov, Vlado K., Chechik, Victor, Douthwaite, Richard E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841567/
https://www.ncbi.nlm.nih.gov/pubmed/36660098
http://dx.doi.org/10.1021/acs.jpcc.2c06927

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