A1 Journal article (refereed)
Direct hot-carrier transfer in plasmonic catalysis (2019)

Kumar, P. V., Rossi, T. P., Kuisma, M., Erhart, P., & Norris, D. J. (2019). Direct hot-carrier transfer in plasmonic catalysis. Faraday Discussions, 214, 189-197. https://doi.org/10.1039/C8FD00154E

JYU authors or editors

Publication details

All authors or editors: Kumar, Priyank V.; Rossi, Tuomas P.; Kuisma, Mikael; Erhart, Paul; Norris, David J.

Journal or series: Faraday Discussions

ISSN: 1359-6640

eISSN: 1364-5498

Publication year: 2019

Volume: 214

Issue number: 0

Pages range: 189-197

Publisher: Royal Society of Chemistry

Publication country: United Kingdom

Publication language: English

DOI: https://doi.org/10.1039/C8FD00154E

Publication open access: Not open

Publication channel open access:


Plasmonic metal nanoparticles can concentrate optical energy and enhance chemical reactions on their surfaces. Plasmons can interact with adsorbate orbitals and decay by directly exciting a carrier from the metal to the adsorbate in a process termed the direct-transfer process. Although this process could be useful for enhancing the efficiency of a chemical reaction, it remains poorly understood. Here, we report a preliminary investigation employing time-dependent density-functional theory (TDDFT) calculations to capture this process at a model metal-adsorbate interface formed by a silver nanoparticle (Ag147) and a carbon monoxide molecule (CO). Direct hot-electron transfer is observed to occur from the occupied states of Ag to the unoccupied molecular orbitals of CO. We determine the probability of this process and show that it depends on the adsorption site of CO. Our results are expected to aid the design of more efficient metal-molecule interfaces for plasmonic catalysis.

Keywords: surface chemistry; nanoparticles; density functional theory; catalysis

Free keywords: silver nanoparticles; plasmonics; hot-electron transfer; time-dependent density-functional theory

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Ministry reporting: Yes

Reporting Year: 2019

JUFO rating: 1

Last updated on 2021-09-06 at 06:35