Energy Transfer to Molecular Adsorbates by Transient Hot Electron Spillover
dc.citation.firstpage | 2719 | en_US |
dc.citation.issueNumber | 7 | en_US |
dc.citation.journalTitle | Nano Letters | en_US |
dc.citation.lastpage | 2725 | en_US |
dc.citation.volumeNumber | 23 | en_US |
dc.contributor.author | Vanzan, Mirko | en_US |
dc.contributor.author | Gil, Gabriel | en_US |
dc.contributor.author | Castaldo, Davide | en_US |
dc.contributor.author | Nordlander, Peter | en_US |
dc.contributor.author | Corni, Stefano | en_US |
dc.date.accessioned | 2023-04-25T14:48:05Z | en_US |
dc.date.available | 2023-04-25T14:48:05Z | en_US |
dc.date.issued | 2023 | en_US |
dc.description.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. | en_US |
dc.identifier.citation | Vanzan, Mirko, Gil, Gabriel, Castaldo, Davide, et al.. "Energy Transfer to Molecular Adsorbates by Transient Hot Electron Spillover." <i>Nano Letters,</i> 23, no. 7 (2023) Amerian Chemical Society: 2719-2725. https://doi.org/10.1021/acs.nanolett.3c00013. | en_US |
dc.identifier.digital | acs-nanolett-3c00013 | en_US |
dc.identifier.doi | https://doi.org/10.1021/acs.nanolett.3c00013 | en_US |
dc.identifier.uri | https://hdl.handle.net/1911/114833 | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Amerian Chemical Society | en_US |
dc.rights | This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). | en_US |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | en_US |
dc.title | Energy Transfer to Molecular Adsorbates by Transient Hot Electron Spillover | en_US |
dc.type | Journal article | en_US |
dc.type.dcmi | Text | en_US |
dc.type.publication | publisher version | en_US |
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