The effect of variable chain length on the electronic properties of electroluminescent polymers

Detalhes bibliográficos
Autor(a) principal: Almeida, A. M.
Data de Publicação: 2001
Outros Autores: Ramos, Marta M. D.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/1822/3430
Resumo: We have used self-consistent molecular dynamics calculations with semi-empirical quantum chemistry at the complete neglect of differential overlap (CNDO) level to discuss some of the issues relating to the electronic processes involved in electroluminescence of a particular conjugated polymer: poly(p-phenylene-vinylene) (PPV). Specifically addressed are the effects of chain length and molecular charge on the electronic properties of individual PPV strands, such as chemical potential, charge induced defects and charge rearrangement among the polymer atoms. The effect of high electric fields on charge-induced defects already formed is also discussed.
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spelling The effect of variable chain length on the electronic properties of electroluminescent polymersMolecular dynamicsPPVCharge-induced defectsChemical potentialScience & TechnologyWe have used self-consistent molecular dynamics calculations with semi-empirical quantum chemistry at the complete neglect of differential overlap (CNDO) level to discuss some of the issues relating to the electronic processes involved in electroluminescence of a particular conjugated polymer: poly(p-phenylene-vinylene) (PPV). Specifically addressed are the effects of chain length and molecular charge on the electronic properties of individual PPV strands, such as chemical potential, charge induced defects and charge rearrangement among the polymer atoms. The effect of high electric fields on charge-induced defects already formed is also discussed.ElsevierUniversidade do MinhoAlmeida, A. M.Ramos, Marta M. D.2001-052001-05-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/1822/3430eng"Synthetic Metals". ISSN 0379-6779. 122 (2001) 165-167.0379-677910.1016/S0379-6779(00)01370-9http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TY7-42G0MPM-1D-6&_cdi=5611&_user=2459786&_orig=search&_coverDate=05%2F01%2F2001&_sk=998779998&view=c&wchp=dGLbVlb-zSkzV&md5=e53388dc72e144ee1f89e7f8326063be&ie=/sdarticle.pdfhttp://www.elsevier.com/wps/find/journaldescription.cws_home/504105/description#descriptioninfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-07-21T12:49:47Zoai:repositorium.sdum.uminho.pt:1822/3430Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T19:48:20.711694Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv The effect of variable chain length on the electronic properties of electroluminescent polymers
title The effect of variable chain length on the electronic properties of electroluminescent polymers
spellingShingle The effect of variable chain length on the electronic properties of electroluminescent polymers
Almeida, A. M.
Molecular dynamics
PPV
Charge-induced defects
Chemical potential
Science & Technology
title_short The effect of variable chain length on the electronic properties of electroluminescent polymers
title_full The effect of variable chain length on the electronic properties of electroluminescent polymers
title_fullStr The effect of variable chain length on the electronic properties of electroluminescent polymers
title_full_unstemmed The effect of variable chain length on the electronic properties of electroluminescent polymers
title_sort The effect of variable chain length on the electronic properties of electroluminescent polymers
author Almeida, A. M.
author_facet Almeida, A. M.
Ramos, Marta M. D.
author_role author
author2 Ramos, Marta M. D.
author2_role author
dc.contributor.none.fl_str_mv Universidade do Minho
dc.contributor.author.fl_str_mv Almeida, A. M.
Ramos, Marta M. D.
dc.subject.por.fl_str_mv Molecular dynamics
PPV
Charge-induced defects
Chemical potential
Science & Technology
topic Molecular dynamics
PPV
Charge-induced defects
Chemical potential
Science & Technology
description We have used self-consistent molecular dynamics calculations with semi-empirical quantum chemistry at the complete neglect of differential overlap (CNDO) level to discuss some of the issues relating to the electronic processes involved in electroluminescence of a particular conjugated polymer: poly(p-phenylene-vinylene) (PPV). Specifically addressed are the effects of chain length and molecular charge on the electronic properties of individual PPV strands, such as chemical potential, charge induced defects and charge rearrangement among the polymer atoms. The effect of high electric fields on charge-induced defects already formed is also discussed.
publishDate 2001
dc.date.none.fl_str_mv 2001-05
2001-05-01T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/1822/3430
url http://hdl.handle.net/1822/3430
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv "Synthetic Metals". ISSN 0379-6779. 122 (2001) 165-167.
0379-6779
10.1016/S0379-6779(00)01370-9
http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TY7-42G0MPM-1D-6&_cdi=5611&_user=2459786&_orig=search&_coverDate=05%2F01%2F2001&_sk=998779998&view=c&wchp=dGLbVlb-zSkzV&md5=e53388dc72e144ee1f89e7f8326063be&ie=/sdarticle.pdf
http://www.elsevier.com/wps/find/journaldescription.cws_home/504105/description#description
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
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reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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