TITLE

Charge and energy dynamics in photo-excited poly(para-phenylenevinylene) systems

AUTHOR(S)
Gisslén, L.; Johansson, Å.; Stafström, S.
PUB. DATE
July 2004
SOURCE
Journal of Chemical Physics;7/15/2004, Vol. 121 Issue 3, p1601
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We report results from simulations of charge and energy dynamics in poly(para-phenylenevinylene) (PPV) and PPV interacting with C60. The simulations were performed by solving the time-dependent Schrödinger equation and the lattice equation of motion simultaneously and nonadiabatically. 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, which also included an external electric field. Electron and lattice dynamics following electronic excitations at different energies have been simulated. The effect of additional lattice energy was also included in the simulations. Our results show that both exciton diffusion and transitions from high to lower lying excitations are stimulated by increasing the lattice energy. Also field induced charge separation occurs faster if the lattice energy is increased. This separation process is highly nonadiabatic and involves a significant rearrangement of the electron distribution. In the case of PPV coupled to C60, we observe a spontaneous charge separation. The separation time is in this case limited by the local concentration of C60 molecules close to the PPV chain. © 2004 American Institute of Physics.
ACCESSION #
13885900

 

Related Articles

Share

Read the Article

Courtesy of NEW JERSEY STATE LIBRARY

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics