Single-Atom Dopants in Plasmonic Nanocatalysts

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2023-05-11
Department
Department of Applied Physics
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Language
en
Pages
6
8585-8590
Series
Journal of Physical Chemistry C, Volume 127, issue 18
Abstract
Bimetallic nanostructures combining plasmonic and catalytic metals are promising for tailoring and enhancing plasmonic hot-carrier generation utilized in plasmonic catalysis. In this work, we study the plasmonic hot-carrier generation in noble metal nanoparticles (Ag, Au, and Cu) with single-atom dopants (Ag, Au, Cu, Pd, and Pt) with first-principles time-dependent density functional theory calculations. Our results show that the local hot-carrier generation at the dopant atom is greatly altered by the dopant element while the plasmonic response of the nanoparticle as a whole is not significantly affected. In particular, hot holes at the dopant atom originate from the discrete d-electron states of the dopant, and the energies of these d-electron states and hence those of the hot holes depend on the dopant element, which opens up the possibility to tune hot-carrier generation with suitable dopants.
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Funding Information: T.P.R. acknowledges funding from the Academy of Finland under grant no. 332429. The calculations were enabled by the generous computational resources provided by the CSC – IT Center for Science Ltd., Finland and by the Aalto Science-IT project, Aalto University School of Science. Publisher Copyright: © 2023 The Authors. Published by American Chemical Society.
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DOI
10.1021/acs.jpcc.3c01998
Citation
Sorvisto, D, Rinke, P & Rossi, T P 2023, ' Single-Atom Dopants in Plasmonic Nanocatalysts ', Journal of Physical Chemistry C, vol. 127, no. 18, pp. 8585-8590 . https://doi.org/10.1021/acs.jpcc.3c01998
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https://urn.fi/URN:NBN:fi:aalto-202308014549
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[article-cris] Perustieteiden korkeakoulu / SCI