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- W2271636282 abstract "Abstract Plasmon-generated hot carriers are used in photovoltaic or photochemical applications. However, the interplays between the plasmon and single-particle excitations in nanosystems have not been theoretically addressed using ab initio methods. Here we show such interplays in a Ag 55 nanocluster using real-time time-dependent density functional theory simulations. We find that the disappearance of the zero-frequency peak in the Fourier transform of the band-to-band transition coefficient is a hallmark of the plasmon. We show the importance of the d -states for hot-carrier generations. If the single-particle d -to- s excitations are resonant to the plasmon frequency, the majority of the plasmon energy will be converted into hot carriers, and the overall hot-carrier generation is enhanced by the plasmon; if such resonance does not exist, we observe an intriguing Rabi oscillation between the plasmon and hot carriers. Phonons play a minor role in plasmonic dynamics in such small systems. This study provides guidance on improving plasmonic applications." @default.
- W2271636282 created "2016-06-24" @default.
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- W2271636282 date "2015-12-17" @default.
- W2271636282 modified "2023-10-16" @default.
- W2271636282 title "Interplay between plasmon and single-particle excitations in a metal nanocluster" @default.
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- W2271636282 doi "https://doi.org/10.1038/ncomms10107" @default.
- W2271636282 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4703846" @default.
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- W2271636282 hasPublicationYear "2015" @default.
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