Dissipative dynamics of spin-dependent electron–hole capture in conjugated polymers

2003 ◽  
Vol 119 (7) ◽  
pp. 3988-3995 ◽  
Author(s):  
Stoyan Karabunarliev ◽  
Eric R. Bittner
1994 ◽  
Vol 50 (16) ◽  
pp. 12044-12051 ◽  
Author(s):  
N. S. Sariciftci ◽  
B. Kraabel ◽  
C. H. Lee ◽  
K. Pakbaz ◽  
A. J. Heeger ◽  
...  

1995 ◽  
Vol 413 ◽  
Author(s):  
David Yaron ◽  
Eric Moore ◽  
Benjamin Gherman

ABSTRACTThe use of semi-empirical quantum chemistry to calculate the exciton binding energy of conjugated polymers is discussed. Both the Pariser-Parr-Pople (PPP) model with Ohno parameterization and the models present in the MOPAC program overestimate the exciton binding energy relative to that observed in solid-state materials. Inclusion of Coulomb screening from adjacent chains may correct this overestimation. The solvation energy of a point charge in polyacetylene is calculated as 0.9eV, using Hartree-Fock theory to describe the polarization induced in the solvent chains. It is argued that including screening by modifying the electron-electron interaction energy of the PPP model introduces physically unreasonable side effects and is not consistent with the 0.9eV solvation energy of a point charge. Electron-hole screening models are then discussed along with the need to consider the relative time scales of the electron-hole motion and the dielectric response.


2003 ◽  
Vol 15 (20) ◽  
pp. 1708-1712 ◽  
Author(s):  
A.C. Morteani ◽  
A.S. Dhoot ◽  
J.-S. Kim ◽  
C. Silva ◽  
N.C. Greenham ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document