Data di Pubblicazione:
2023
Citazione:
Energy Transfer to Molecular Adsorbates by Transient Hot Electron Spillover / M. Vanzan, G. Gil, D. Castaldo, P. Nordlander, S. Corni. - In: NANO LETTERS. - ISSN 1530-6984. - 23:7(2023 Apr 12), pp. 2719-2725. [10.1021/acs.nanolett.3c00013]
Abstract:
Hot electron (HE) photocatalysis is one of the most intriguing fields of nanoscience, with a clear potential for technological impact. Despite much effort, the mechanisms of HE photocatalysis are not fully understood. Here we investigate a mechanism based on transient electron spillover on a molecule and subsequent energy release into vibrational modes. We use state-of-the-art real-time Time Dependent Density Functional Theory (rt-TDDFT), simulating the dynamics of a HE moving within linear chains of Ag or Au atoms, on which CO, N2, or H2O are adsorbed. We estimate the energy a HE can release into adsorbate vibrational modes and show that certain modes are selectively activated. The energy transfer strongly depends on the adsorbate, the metal, and the HE energy. Considering a cumulative effect from multiple HEs, we estimate this mechanism can transfer tenths of an eV to molecular vibrations and could play an important role in HE photocatalysis.
Tipologia IRIS:
01 - Articolo su periodico
Keywords:
electron dynamics; energy transfer; hot carriers; hot electrons; nanoplasmonics; photocatalysis;
Elenco autori:
M. Vanzan, G. Gil, D. Castaldo, P. Nordlander, S. Corni
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