Szczegóły publikacji
Opis bibliograficzny
Molecular dynamics simulations of poly(alkylthiophenes): an overall view of some recent results / W. ŁUŻNY, K. Piwowarczyk // Synthetic Metals ; ISSN 0379-6779. — 2013 — vol. 179, s. 1–9. — Bibliogr. s. 9, Abstr.
Autorzy (2)
Słowa kluczowe
Dane bibliometryczne
| ID BaDAP | 76857 |
|---|---|
| Data dodania do BaDAP | 2013-10-16 |
| Tekst źródłowy | URL |
| DOI | 10.1016/j.synthmet.2013.07.001 |
| Rok publikacji | 2013 |
| Typ publikacji | artykuł w czasopiśmie |
| Otwarty dostęp |  |
| Czasopismo/seria | Synthetic Metals |
Abstract
New approach to the problem of simulation of the structural properties of conjugated polymer system is presented. The force field used in our molecular dynamics calculations for poly(3-alkylthiophenes) has been thoroughly tested for a hierarchy of molecules that gradually extends the information needed to build the final model polymer system. The paper describes simulation results for polymers that differ in the alkyl chain length, as well as the simulation results for poly(hexylthiophene) for a wide temperature range. (c) 2013 Elsevier B.V. All rights reserved.