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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
RSC
2020
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| Materias: | |
| 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 |