Parfaite Senoume Senou, Mónica Calatayud, Ardhmeri Alija, Pierpaolo D’Antoni, Daniele Toffoli, Rilinda Plakaj, Mauro Stener
High Resolution Image Download MS PowerPoint Slide 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 TiO 2 changes the electronic properties of the system, resulting in the disappearance of the TiO 2 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 TiO 2, allowing the identification of favorable configurations for the plasmonic coupling.