Plasmonic Coupling Effects in Metal Clusters Supported over TiO <sub>2</sub> : A Theoretical Study
Density functional theory (DFT) and time-dependent density functional theory (TDDFT) have been employed to study the plasmonic coupling effects of silver, gold, and copper clusters supported on titania. The adsorption of metal nanoparticles on the surface of rutile TiO2 changes the electronic properties of the system, resulting in the disappearance of the TiO2 bandgap. The analysis of photoabsorption spectra allowed us to identify surface plasmons and quantify their contribution to the absorption of visible light. Using specific analysis tools, we evaluated the strength of the plasmonic coupling between metal nanoparticles and TiO2, allowing the identification of favorable configurations for the plasmonic coupling.
Authors
- Daniele Toffoli (ORCID: https://orcid.org/0000-0002-8225-6119)
- Ardhmeri Alija
- Mónica Calatayud (ORCID: https://orcid.org/0000-0003-0555-8938)
- Mauro Stener (ORCID: https://orcid.org/0000-0003-3700-7903)
- Pierpaolo D’Antoni (ORCID: https://orcid.org/0009-0004-2987-9204)
- Rilinda Plakaj (ORCID: https://orcid.org/0009-0002-1878-2162)
- Parfaite Senoume Senou (ORCID: https://orcid.org/0009-0000-7250-0029)
Institutions
- Centre National de la Recherche Scientifique (FR)
- University of Trieste (IT)
- Sorbonne Université (FR)
- Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies (FR)
Publication Details
- Journal
- The Journal of Physical Chemistry C
- Published
- 2026-05-21
- DOI
- https://doi.org/10.1021/acs.jpcc.5c08085
- Primary Topic
- Gold and Silver Nanoparticles Synthesis and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Centre Informatique National de l’Enseignement Supérieur
- European Cooperation in Science and Technology
- Ministero dell'Istruzione e del Merito
- NextGenerationEU