Single-Atom Dopants in Plasmonic Nanocatalysts

Thumbnail Image

Access rights

openAccess
publishedVersion

URL

Journal Title

Journal ISSN

Volume Title

A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
This publication is imported from Aalto University research portal.
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
Other link related to publication (opens in new window)

Authors

Date

2023-05-11

Department

Department of Applied Physics

Major/Subject

Mcode

Degree programme

Language

en

Pages

6

Series

Journal of Physical Chemistry C, Volume 127, issue 18, pp. 8585-8590

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.

Description

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.

Keywords

Other note

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

Permanent link to this item

https://urn.fi/URN:NBN:fi:aalto-202308014549

Collections

[article-cris] Perustieteiden korkeakoulu / SCI