Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/3346
Título: | Charge induced-defects in Poly (P-Phenylene Vinylene) (PPV) |
Autor(es): | Ramos, Marta M. D. Almeida, A. M. |
Palavras-chave: | Conjugated polymers |
Data: | Nov-2001 |
Editora: | Elsevier |
Revista: | Vacuum |
Citação: | "Vacuum". ISSN 0042-207X. 64 (2001) 99-104. |
Resumo(s): | We use a molecular dynamics method with semi-empirical quantum chemistry at the complete neglect of differential overlap (CNDO) level to study the charge-induced structural relaxation of poly(p-phenylene vinylene) (PPV) backbone, as a result of charge injection in light emitting diodes. Our results suggest that structural relaxation of PPV is accompanied by a local change in the electronic structure of the polymer leading to commonly known defects. The mobility of these defects along the polymer chains of different finite length was estimated from computer experiments. The charge rearrangement among the PPV atoms is also discussed. |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/3346 |
DOI: | 10.1016/S0042-207X(01)00380-3 |
ISSN: | 0042-207X |
Versão da editora: | www.elsevier.com http://www.elsevier.com/wps/find/journaldescription.cws_home/357/description#description |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | CDF - FCT - Artigos/Papers (with refereeing) |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
---|---|---|---|---|
repos-A23.pdf | V64a | 244,42 kB | Adobe PDF | Ver/Abrir |