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dc.provenanceCONICET-
dc.creatorIlawe, Niranjan V.-
dc.creatorOviedo, María Belén-
dc.creatorWong, Bryan M.-
dc.date2018-11-07T15:41:34Z-
dc.date2018-11-07T15:41:34Z-
dc.date2017-08-05-
dc.date2018-10-22T18:20:54Z-
dc.date.accessioned2019-04-29T15:44:30Z-
dc.date.available2019-04-29T15:44:30Z-
dc.date.issued2017-08-05-
dc.identifierIlawe, Niranjan V.; Oviedo, María Belén; Wong, Bryan M.; Real-time quantum dynamics of long-range electronic excitation transfer in plasmonic nanoantennas; American Chemical Society; Journal of Chemical Theory and Computation; 13; 8; 5-8-2017; 3442-3454-
dc.identifier1549-9618-
dc.identifierhttp://hdl.handle.net/11336/63868-
dc.identifier1549-9626-
dc.identifierCONICET Digital-
dc.identifierCONICET-
dc.identifier.urihttp://rodna.bn.gov.ar:8080/jspui/handle/bnmm/300817-
dc.descriptionUsing large-scale, real-time, quantum dynamics calculations, we present a detailed analysis of electronic excitation transfer (EET) mechanisms in a multiparticle plasmonic nanoantenna system. Specifically, we utilize real-time, time-dependent, density functional tight binding (RT-TDDFTB) to provide a quantum-mechanical description (at an electronic/atomistic level of detail) for characterizing and analyzing these systems, without recourse to classical approximations. We also demonstrate highly long-range electronic couplings in these complex systems and find that the range of these couplings is more than twice the conventional cutoff limit considered by Förster resonance energy transfer (FRET)-based approaches. Furthermore, we attribute these unusually long-ranged electronic couplings to the coherent oscillations of conduction electrons in plasmonic nanoparticles. This long-range nature of plasmonic interactions has important ramifications for EET; in particular, we show that the commonly used "nearest-neighbor" FRET model is inadequate for accurately characterizing EET even in simple plasmonic antenna systems. These findings provide a real-time, quantum-mechanical perspective for understanding EET mechanisms and provide guidance in enhancing plasmonic properties in artificial light-harvesting systems.-
dc.descriptionFil: Ilawe, Niranjan V.. University of California; Estados Unidos-
dc.descriptionFil: Oviedo, María Belén. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. University of California; Estados Unidos-
dc.descriptionFil: Wong, Bryan M.. University of California; Estados Unidos-
dc.formatapplication/pdf-
dc.formatapplication/pdf-
dc.languageeng-
dc.publisherAmerican Chemical Society-
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00423-
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jctc.7b00423-
dc.rightsinfo:eu-repo/semantics/restrictedAccess-
dc.rightsAtribución-NoComercial-CompartirIgual 2.5 Argentina (CC BY-NC-SA 2.5 AR)-
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/-
dc.sourcereponame:CONICET Digital (CONICET)-
dc.sourceinstname:Consejo Nacional de Investigaciones Científicas y Técnicas-
dc.sourceinstacron:CONICET-
dc.source.urihttp://hdl.handle.net/11336/63868-
dc.subjectRT-DFTB-
dc.subjectENERGY TRANSFER-
dc.subjectNANOPARTICLES-
dc.subjectPLASMON-
dc.subjectOtras Ciencias Químicas-
dc.subjectCiencias Químicas-
dc.subjectCIENCIAS NATURALES Y EXACTAS-
dc.titleReal-time quantum dynamics of long-range electronic excitation transfer in plasmonic nanoantennas-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/publishedVersion-
dc.typeinfo:ar-repo/semantics/articulo-
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