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dc.contributor.authorRossi, Tuomas P.
dc.contributor.authorErhart, Paul
dc.contributor.authorKuisma, Mikael
dc.date.accessioned2020-07-27T08:21:16Z
dc.date.available2020-07-27T08:21:16Z
dc.date.issued2020
dc.identifier.citationRossi, T. P., Erhart, P., & Kuisma, M. (2020). Hot-Carrier Generation in Plasmonic Nanoparticles : The Importance of Atomic Structure. <i>ACS Nano</i>, <i>14</i>(8), 9963-9971. <a href="https://doi.org/10.1021/acsnano.0c03004" target="_blank">https://doi.org/10.1021/acsnano.0c03004</a>
dc.identifier.otherCONVID_41632525
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/71233
dc.description.abstractMetal nanoparticles are attractive for plasmon-enhanced generation of hot carriers, which may be harnessed in photochemical reactions. In this work, we analyze the coherent femtosecond dynamics of photon absorption, plasmon formation, and subsequent hot-carrier generation through plasmon dephasing using first-principles simulations. We predict the energetic and spatial hot-carrier distributions in small metal nanoparticles and show that the distribution of hot electrons is very sensitive to the local structure. Our results show that surface sites exhibit enhanced hot-electron generation in comparison to the bulk of the nanoparticle. While the details of the distribution depend on particle size and shape, as a general trend lower-coordinated surface sites such as corners, edges, and {100} facets exhibit a higher proportion of hot electrons than higher-coordinated surface sites such as {111} facets or the core sites. The present results thereby demonstrate how hot carriers could be tailored by careful design of atomic-scale structures in nanoscale systems.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherAmerican Chemical Society (ACS)
dc.relation.ispartofseriesACS Nano
dc.rightsCC BY-NC-ND 4.0
dc.subject.otherlocalized surface plasmon
dc.subject.otherplasmon decay
dc.subject.otherplasmon dephasing
dc.subject.othertime-dependent density-functional theory
dc.subject.otherhot electrons
dc.subject.otherhot carriers
dc.subject.otheratomic-scale
dc.titleHot-Carrier Generation in Plasmonic Nanoparticles : The Importance of Atomic Structure
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202007275383
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.description.reviewstatuspeerReviewed
dc.format.pagerange9963-9971
dc.relation.issn1936-0851
dc.relation.numberinseries8
dc.relation.volume14
dc.type.versionacceptedVersion
dc.rights.copyright© 2020 the Authors
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber295602
dc.subject.ysonanohiukkaset
dc.subject.ysoplasmonit
dc.subject.ysopintaplasmonit
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p23451
jyx.subject.urihttp://www.yso.fi/onto/yso/p38679
jyx.subject.urihttp://www.yso.fi/onto/yso/p38896
dc.rights.urlhttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.relation.datasethttps://doi.org/10.5281/zenodo.3927527
dc.relation.doi10.1021/acsnano.0c03004
dc.relation.funderSuomen Akatemiafi
dc.relation.funderAcademy of Finlanden
jyx.fundingprogramTutkijatohtori, SAfi
jyx.fundingprogramPostdoctoral Researcher, AoFen
jyx.fundinginformationWe acknowledge financial support from the Knut and Alice Wallenberg Foundation (2014.0226, 2015.0055), the Swedish Research Council (2015-04153), and the Swedish Foundation for Strategic Research (RMA15-0052). T.P.R. acknowledges support from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 838996 and also thanks the Adlerbert Research Foundation and the Wilhelm and Martina Lundgren Foundation for support. M.K. acknowledges funding from Academy of Finland under grant No 295602. We acknowledge generous computational resources provided by the Swedish National Infrastructure for Computing (SNIC) at PDC (Stockholm), NSC (Linköping), and C3SE (Gothenburg) as well as by the CSC – IT Center for Science (Finland).


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