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Modeling of the dynamics of charge separation in an excited poly(phenylene vinylene)/C-60 system
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
2003 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 68, no 3Article in journal (Refereed) Published
Abstract [en]

The dynamics of charge separation in an excited poly(phenylene vinylene) chain coupled to a C-60 has been investigated. A charge-transfer time of around 200 fs was found, preceded by a delay time. The scenario of further electron migration in a system of three coupled C-60 molecules under an electric field was also simulated. The calculations were performed by employing an extended version of the Su-Schrieffer-Heeger model in which bond-length deviations as well as angular changes are included as classical harmonic potentials.

Place, publisher, year, edition, pages
2003. Vol. 68, no 3
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Engineering and Technology
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URN: urn:nbn:se:liu:diva-47761DOI: 10.1103/PhysRevB.68.035206OAI: oai:DiVA.org:liu-47761DiVA: diva2:268657
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2017-12-13

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Stafström, Sven

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