Show simple item record Ilawe, Niranjan V. Oviedo, María Belén Wong, Bryan M. 2018-11-07T15:41:34Z 2017-08-05
dc.identifier.citation Ilawe, 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.identifier.issn 1549-9618
dc.description.abstract Using 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.format application/pdf
dc.language.iso eng
dc.publisher American Chemical Society
dc.rights info:eu-repo/semantics/restrictedAccess
dc.rights Atribución-NoComercial-CompartirIgual 2.5 Argentina (CC BY-NC-SA 2.5 AR)
dc.subject RT-DFTB
dc.subject PLASMON
dc.subject.classification Otras Ciencias Químicas
dc.subject.classification Ciencias Químicas
dc.subject.classification CIENCIAS NATURALES Y EXACTAS
dc.title Real-time quantum dynamics of long-range electronic excitation transfer in plasmonic nanoantennas
dc.type info:eu-repo/semantics/article
dc.type info:ar-repo/semantics/artículo
dc.type info:eu-repo/semantics/publishedVersion 2018-10-22T18:20:54Z
dc.identifier.eissn 1549-9626
dc.journal.volume 13
dc.journal.number 8
dc.journal.pagination 3442-3454
dc.journal.pais Estados Unidos
dc.journal.ciudad Washington
dc.description.fil Fil: Ilawe, Niranjan V.. University of California; Estados Unidos
dc.description.fil Fil: 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.description.fil Fil: Wong, Bryan M.. University of California; Estados Unidos
dc.journal.title Journal of Chemical Theory and Computation
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/url/
dc.relation.alternativeid info:eu-repo/semantics/altIdentifier/doi/
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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)