Structural studies of polypyrroles - II. A Monte Carlo growth approach to the branch formation

Citation
E. Yurtsever et al., Structural studies of polypyrroles - II. A Monte Carlo growth approach to the branch formation, SYNTH METAL, 98(3), 1999, pp. 229-236
Citations number
10
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SYNTHETIC METALS
ISSN journal
03796779 → ACNP
Volume
98
Issue
3
Year of publication
1999
Pages
229 - 236
Database
ISI
SICI code
0379-6779(19990101)98:3<229:SSOP-I>2.0.ZU;2-M
Abstract
A simulation technique which is based on quantum mechanically generated pro bability distributions of alpha alpha, alpha beta and beta beta type linkag es in polypyrroles is presented and applied for a statistical analysis of t he growth process. The results show that the branching occur even at very s hort chains. The extent of the branching does not depend on the chain lengt h and it is a slowly varying function of the temperature. At room temperatu res, 20-25% deviations from the linearity is observed which is consistent w ith the experimental observations. (C) 1999 Elsevier Science S.A. All right s reserved.