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Charge and energy dynamics in photo-excited poly(para-phenylenevinylene) systems
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Molecular genetics .
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Computational Physics .
2004 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 121, no 3, 1601-1608 p.Article in journal (Refereed) Published
Abstract [en]

The results from simulations of charge and energy dynamics in poly(para-phenylenevinylene) (PPV) and PPV interacting with C60 were reported. The time-dependent Schrödinger equation and the lattice equation of motion simultaneously and nonadiabatically solved for performing these simulations. The electronic system and the coupling of the electrons to the lattice were described by an extended three-dimensional version of the Su-Schrieffer-Heeger model. The simulation of electron and lattice dynamics following an electronic excitations at different energies was also presented. The results show that both exciton diffusion and transitions from high to lower lying excitations were stimulated by increasing the lattice energy.

Place, publisher, year, edition, pages
2004. Vol. 121, no 3, 1601-1608 p.
National Category
Engineering and Technology
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URN: urn:nbn:se:liu:diva-45688DOI: 10.1063/1.1763145OAI: oai:DiVA.org:liu-45688DiVA: diva2:266584
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2017-12-13

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Johansson, AgnetaStafström, Sven

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