Theoretical study evaluates plasmonic coupling in metal clusters on TiO2, suggesting important configurations.
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.
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Senou et al. (2026) studied this question.
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