Localized Surface Plasmon Resonance in Free Silver Nanoclusters Ag n , n = 20–147

Abstract : Absorption spectra of silver nanoclusters, Ag n with n = 20−147, are investigated in the framework of the time-dependent density functional theory (TDDFT) with the use of a range-separated hybrid density functional. Our calculated spectra reproduce well the experimental data. The plasmon-like band energy is situated at about 4 eV for all clusters in gas phase. A description of the plasmonic behavior is given using analyses and tools derived from ab initio quantum calculations. The plasmon band originates from multiple peaks gathered in a relatively small range of energy. High intensive peaks near the center of the band present a strong plasmonic character which has been characterized in terms of transition density, hole-electron excitation, transition contribution map (TCM), and generalized plasmonicity index (GPI).
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Contributor : Franck Rabilloud <>
Submitted on : Monday, December 9, 2019 - 8:40:17 PM
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Romain Schira, Franck Rabilloud. Localized Surface Plasmon Resonance in Free Silver Nanoclusters Ag n , n = 20–147. Journal of Physical Chemistry C, American Chemical Society, 2019, 123 (10), pp.6205-6212. ⟨10.1021/acs.jpcc.9b00211⟩. ⟨hal-02346036⟩



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