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dc.contributor.authorSelenius, Elli
dc.contributor.authorMalola, Sami
dc.contributor.authorKuisma, Mikael
dc.contributor.authorHäkkinen, Hannu
dc.date.accessioned2020-05-25T11:38:20Z
dc.date.available2020-05-25T11:38:20Z
dc.date.issued2020
dc.identifier.citationSelenius, E., Malola, S., Kuisma, M., & Häkkinen, H. (2020). Charge Transfer Plasmons in Dimeric Electron Clusters. <i>Journal of Physical Chemistry C</i>, <i>124</i>(23), 12645-12654. <a href="https://doi.org/10.1021/acs.jpcc.0c02889" target="_blank">https://doi.org/10.1021/acs.jpcc.0c02889</a>
dc.identifier.otherCONVID_35698474
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/69193
dc.description.abstractThe tunability of the optical response of dimers of metal clusters and nanoparticles makes them ideal for many applications from sensing and imaging to inducing chemical reactions. We have studied charge transfer plasmons in separate and linked dimers of closed-shell electron clusters of 8 and 138 electrons using time-dependent density functional theory. The simple model clusters enable the systematic study of the charge transfer phenomenon from the electronic perspective. To identify the charge transfer plasmons, we have developed an index, the Charge Transfer Ratio, for quantifying the charge transfer nature of the excitations. In addition, we analyze the induced transition density and the electron transitions contributing to the dipole moment at the charge transfer plasmon energies. Our results show that the optical response of the dimers is very sensitive to changes in the inter-cluster separation and in the width of the linking channel, with charge transfer plasmon peaks appearing at low energies for dimers with linking or sufficient electron cloud overlap.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.relation.ispartofseriesJournal of Physical Chemistry C
dc.rightsIn Copyright
dc.subject.othercharge transfer plasmons
dc.titleCharge Transfer Plasmons in Dimeric Electron Clusters
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202005253446
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.format.pagerange12645-12654
dc.relation.issn1932-7447
dc.relation.numberinseries23
dc.relation.volume124
dc.type.versionacceptedVersion
dc.rights.copyright© 2020 American Chemical Society
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber319208
dc.relation.grantnumber294217
dc.relation.grantnumber295602
dc.subject.ysoplasmonit
dc.subject.ysooptiset ominaisuudet
dc.subject.ysonanohiukkaset
dc.subject.ysotiheysfunktionaaliteoria
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p38679
jyx.subject.urihttp://www.yso.fi/onto/yso/p25870
jyx.subject.urihttp://www.yso.fi/onto/yso/p23451
jyx.subject.urihttp://www.yso.fi/onto/yso/p28852
dc.rights.urlhttp://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi10.1021/acs.jpcc.0c02889
dc.relation.funderResearch Council of Finlanden
dc.relation.funderResearch Council of Finlanden
dc.relation.funderResearch Council of Finlanden
dc.relation.funderSuomen Akatemiafi
dc.relation.funderSuomen Akatemiafi
dc.relation.funderSuomen Akatemiafi
jyx.fundingprogramResearch costs of Academy Professor, AoFen
jyx.fundingprogramResearch costs of Academy Professor, AoFen
jyx.fundingprogramPostdoctoral Researcher, AoFen
jyx.fundingprogramAkatemiaprofessorin tutkimuskulut, SAfi
jyx.fundingprogramAkatemiaprofessorin tutkimuskulut, SAfi
jyx.fundingprogramTutkijatohtori, SAfi
jyx.fundinginformationThis work was supported by the Academy of Finland (grants 294217 and 319208, H.H.’s Academy Professorship, and M.K.’s Academy postdoctoral grant 295602) and the Emil Aaltonen Foundation (E.S.’s PhD scholarship). The computations were done at the CSC - the Finnish IT Center for Science (project COUPLES) and in the FGCI - Finnish Grid and Cloud Infrastructure (persistent identifier urn:nbn:fi:research-infras-2016072533).
dc.type.okmA1


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