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


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Publication details

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

Journal or seriesFaraday Discussions

ISSN1359-6640

eISSN1364-5498

Publication year2019

Volume214

Issue number0

Pages range189-197

PublisherRoyal Society of Chemistry

Publication countryUnited Kingdom

Publication languageEnglish

DOIhttps://doi.org/10.1039/C8FD00154E

Publication open accessNot open

Publication channel open access


Abstract

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.


Keywordssurface chemistrynanoparticlesdensity functional theorycatalysis

Free keywordssilver nanoparticles; plasmonics; hot-electron transfer; time-dependent density-functional theory


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Ministry reportingYes

Reporting Year2019

JUFO rating1


Last updated on 2023-18-12 at 13:44