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dc.contributor.authorTichauer, Ruth H.
dc.contributor.authorMorozov, Dmitry
dc.contributor.authorSokolovskii, Ilia
dc.contributor.authorToppari, J. Jussi
dc.contributor.authorGroenhof, Gerrit
dc.date.accessioned2022-07-18T10:08:19Z
dc.date.available2022-07-18T10:08:19Z
dc.date.issued2022
dc.identifier.citationTichauer, R. H., Morozov, D., Sokolovskii, I., Toppari, J. J., & Groenhof, G. (2022). Identifying Vibrations that Control Non-adiabatic Relaxation of Polaritons in Strongly Coupled Molecule-Cavity Systems. <i>Journal of Physical Chemistry Letters</i>, <i>13</i>(26), 6259-6267. <a href="https://doi.org/10.1021/acs.jpclett.2c00826" target="_blank">https://doi.org/10.1021/acs.jpclett.2c00826</a>
dc.identifier.otherCONVID_148802103
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/82359
dc.description.abstractThe strong light–matter coupling regime, in which excitations of materials hybridize with excitations of confined light modes into polaritons, holds great promise in various areas of science and technology. A key aspect for all applications of polaritonic chemistry is the relaxation into the lower polaritonic states. Polariton relaxation is speculated to involve two separate processes: vibrationally assisted scattering (VAS) and radiative pumping (RP), but the driving forces underlying these two mechanisms are not fully understood. To provide mechanistic insights, we performed multiscale molecular dynamics simulations of tetracene molecules strongly coupled to the confined light modes of an optical cavity. The results suggest that both mechanisms are driven by the same molecular vibrations that induce relaxation through nonadiabatic coupling between dark states and polaritonic states. Identifying these vibrational modes provides a rationale for enhanced relaxation into the lower polariton when the cavity detuning is resonant with specific vibrational transitions.en
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherAmerican Chemical Society (ACS)
dc.relation.ispartofseriesJournal of Physical Chemistry Letters
dc.rightsCC BY 4.0
dc.subject.othercavities
dc.subject.otherenergy
dc.subject.othermolecules
dc.subject.othernonadiabatic coupling
dc.subject.otheroscillation
dc.titleIdentifying Vibrations that Control Non-adiabatic Relaxation of Polaritons in Strongly Coupled Molecule-Cavity Systems
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202207183923
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosFysiikan laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.laitosDepartment of Physicsen
dc.contributor.oppiaineFysikaalinen kemiafi
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiainePhysical Chemistryen
dc.contributor.oppiaineNanoscience Centeren
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.description.reviewstatuspeerReviewed
dc.format.pagerange6259-6267
dc.relation.issn1948-7185
dc.relation.numberinseries26
dc.relation.volume13
dc.type.versionpublishedVersion
dc.rights.copyright© 2022 the Authors
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber823830
dc.relation.grantnumber823830
dc.relation.grantnumber323996
dc.relation.projectidinfo:eu-repo/grantAgreement/EC/H2020/823830/EU//BioExcel-2
dc.subject.ysovärähtelyt
dc.subject.ysokytkentä
dc.subject.ysomolekyylit
dc.subject.ysoenergia
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p708
jyx.subject.urihttp://www.yso.fi/onto/yso/p17795
jyx.subject.urihttp://www.yso.fi/onto/yso/p2984
jyx.subject.urihttp://www.yso.fi/onto/yso/p1310
dc.rights.urlhttps://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.1021/acs.jpclett.2c00826
dc.relation.funderEuroopan komissiofi
dc.relation.funderSuomen Akatemiafi
dc.relation.funderEuropean Commissionen
dc.relation.funderAcademy of Finlanden
jyx.fundingprogramResearch infrastructures, H2020fi
jyx.fundingprogramAkatemiahanke, SAfi
jyx.fundingprogramResearch infrastructures, H2020en
jyx.fundingprogramAcademy Project, AoFen
jyx.fundinginformationThis work was supported by the Academy of Finland (Grant 323996) and European Union (H2020-INFRAEDI-02-2018-823830).


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