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:
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.
Keywords: surface chemistry; nanoparticles; density functional theory; catalysis
Free keywords: silver nanoparticles; plasmonics; hot-electron transfer; time-dependent density-functional theory
Contributing organizations
Related projects
- Towards Nanoscale Organic Photovoltaics: Tuning the Hot-electron Transfer and Charge-separation in Functionalized Plasmonic Nanoparticles.
- Kuisma, Mikael
- Research Council of Finland
Ministry reporting: Yes
Reporting Year: 2019
JUFO rating: 1