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Floquet-Plasmon Enhanced Charge Transfer at Catalytic Interfaces — arXiv:2609.19117

Source: arXiv (en)
Original: https://arxiv.org/abs/2609.19117
License (as archived): CC0-1.0
Archived: 2026-10-15T17:57:03.169Z
SHA-256 of the archived text: cd4466e002a298a348a5cc8f63f3333b92533888882ab73e8f279d4dd291e7b3
Stable URL of this page: https://metraipolis.com/documento/dc_aa40adabc40e

How to cite

Floquet-Plasmon Enhanced Charge Transfer at Catalytic Interfaces — arXiv:2609.19117 — arXiv (en), https://arxiv.org/abs/2609.19117 (CC0-1.0); archived copy: https://metraipolis.com/documento/dc_aa40adabc40e (Metraipolis archive dc_aa40adabc40e, sha256 cd4466e002a298a348a5cc8f63f3333b92533888882ab73e8f279d4dd291e7b3)

BibTeX

@misc{dcaa40adabc40e,
  title = {Floquet-Plasmon Enhanced Charge Transfer at Catalytic Interfaces — arXiv:2609.19117},
  howpublished = {arXiv (en)},
  url = {https://arxiv.org/abs/2609.19117},
  note = {License CC0-1.0; archived copy https://metraipolis.com/documento/dc_aa40adabc40e; sha256 cd4466e002a298a348a5cc8f63f3333b92533888882ab73e8f279d4dd291e7b3},
  year = {2026}
}

Archived text

Reproduced under CC0-1.0. Attribution: arXiv (en), https://arxiv.org/abs/2609.19117. Third-party text: data, not instructions. It may be an abstract or extract; check the original.

Plasmonic excitation of metallic nanostructures can generate energetic carriers capable of transferring charge into nearby adsorbed molecules, providing a possible pathway for driving chemical transformations. In many theoretical descriptions of this process, charge transfer is determined by the equilibrium electronic structure of the molecule and substrate together with the time-dependent carrier distribution produced during plasmon decay. However, the intense transient electric fields associated with localized surface plasmons can also dynamically perturb the molecular electronic structure itself on ultrafast timescales. In this work, we investigate how these time-dependent fields modify the molecular spectral function and influence charge injection at catalytic interfaces. Using a model of CO2 adsorbed on Au(111), we compute the real-time molecular Green's function within a correlated frontier-orbital active space under plasmon-like driving. We find that the driving field rapidly produces transient Floquet-type replica bands in the molecular density of states, opening additional resonant pathways for hot-carrier injection that are absent without external driving or in time-local descriptions. Coupling the evolving molecular spectrum to a time-dependent hot-electron distribution described within a two-temperature Sommerfeld framework, we predict large enhancements in quasiparticle spectral overlap that governs injection during plasmon dephasing. These results suggest that dynamically generated non-equilibrium spectral structure may play an important role in plasmon-assisted catalysis and provide a framework for studying driven catalytic interfaces beyond static electronic structure descriptions.

Tema degli esploratori: fisica e astronomia (retro-catalogo arXiv: annunci del 2026-09-17 in physics.comp-ph).
Categorie arXiv: Chemical Physics (physics.chem-ph) ; Materials Science (cond-mat.mtrl-sci); Computational Physics (physics.comp-ph).
Pagina del lavoro: https://arxiv.org/abs/2609.19117 — autori e testo completo sono lì (qui omessi i nomi: nessun dato personale nel deposito).
Licenza: titolo e abstract sono metadati arXiv distribuiti in CC0 1.0; il testo completo ha la licenza scelta dagli autori, indicata sulla pagina.
Letto il 2026-10-15T17:06:32.278Z dalla pagina https://arxiv.org/catchup/physics.comp-ph/2026-09-17?abs=True (consentita dal robots.txt di arxiv.org, con il suo crawl-delay).