Dopamine-Decorated TiO


Journal

Journal of chemical theory and computation
ISSN: 1549-9626
Titre abrégé: J Chem Theory Comput
Pays: United States
ID NLM: 101232704

Informations de publication

Date de publication:
13 Oct 2020
Historique:
pubmed: 4 9 2020
medline: 2 7 2021
entrez: 4 9 2020
Statut: ppublish

Résumé

Nanoparticle functionalization is a modern strategy in nanotechnology to build up devices for several applications. Modeling fully decorated metal oxide nanoparticles of realistic size (few nanometers) in an aqueous environment is a challenging task. In this work, we present a case study relevant for solar-light exploitation and for biomedical applications, i.e., a dopamine-functionalized TiO

Identifiants

pubmed: 32880452
doi: 10.1021/acs.jctc.0c00483
pmc: PMC7735700
doi:

Substances chimiques

Water 059QF0KO0R
titanium dioxide 15FIX9V2JP
Titanium D1JT611TNE
Dopamine VTD58H1Z2X

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

6560-6574

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Auteurs

Paulo Siani (P)

Dipartimento di Scienza dei Materiali, Università di Milano Bicocca, Via Cozzi 55, 20125 Milano, Italy.

Stefano Motta (S)

Dipartimento di Scienze dell'Ambiente e della Terra, Università di Milano Bicocca, Piazza della Scienza 1, 20126 Milano, Italy.

Lorenzo Ferraro (L)

Dipartimento di Scienza dei Materiali, Università di Milano Bicocca, Via Cozzi 55, 20125 Milano, Italy.

Asmus O Dohn (AO)

Department of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark.
Faculty of Physical Sciences and Science Institute, University of Iceland, 107 Reykjavík, Iceland.

Cristiana Di Valentin (C)

Dipartimento di Scienza dei Materiali, Università di Milano Bicocca, Via Cozzi 55, 20125 Milano, Italy.

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Classifications MeSH