TETT-functionalized TiO(2) nanoparticles for DOX loading: a quantum mechanical study at the atomic scale

In this work, we present a quantum mechanical investigation, based on the self-consistent charge density functional tight-binding (SCC-DFTB) method, of the functionalization with silane-type ligands (TETT) of a spherical TiO(2) nanoparticle of realistic size (2.2 nm containing 700 atoms) to create a...

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Detalles Bibliográficos
Autores principales: Datteo, Martina, Ferraro, Lorenzo, Seifert, Gotthard, Di Valentin, Cristiana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9417671/
https://www.ncbi.nlm.nih.gov/pubmed/36132395
http://dx.doi.org/10.1039/d0na00275e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9417671/
https://www.ncbi.nlm.nih.gov/pubmed/36132395
http://dx.doi.org/10.1039/d0na00275e

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