Quantum modelling of photo-excited processes

Detalhes bibliográficos
Autor(a) principal: Ramos, Marta M. D.
Data de Publicação: 2005
Outros Autores: Correia, Helena M. G.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/1822/3394
Resumo: In the framework of quantum field theory and the dipole approximation, a self-consistent quantum molecular dynamics method is used to investigate the effect of chain length on the probability of formation or decay of both singlet and triplet excitons due to photon absorption or emission in isolated poly( p-phenylene vinylene) (PPV) chains. We found that the probability of the photoinduced intra-molecular singlet exciton formation and decay increases linearly with chain length and the probability for triplet exciton formation and decay does not depend on the chain length. Polymers with long chains have thus an advantage over small molecules in solar cell and light-emitting diode (LED) applications because their efficiency depends on the number of intramolecular singlet excitons formed or emitted in the device, which is expected to increase with the conjugation length.
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spelling Quantum modelling of photo-excited processesQuantum modellingPhoto-excited processesSolar cellLEDConducting polymerScience & TechnologyIn the framework of quantum field theory and the dipole approximation, a self-consistent quantum molecular dynamics method is used to investigate the effect of chain length on the probability of formation or decay of both singlet and triplet excitons due to photon absorption or emission in isolated poly( p-phenylene vinylene) (PPV) chains. We found that the probability of the photoinduced intra-molecular singlet exciton formation and decay increases linearly with chain length and the probability for triplet exciton formation and decay does not depend on the chain length. Polymers with long chains have thus an advantage over small molecules in solar cell and light-emitting diode (LED) applications because their efficiency depends on the number of intramolecular singlet excitons formed or emitted in the device, which is expected to increase with the conjugation length.Comunidade Europeia (CE). Fundo Europeu de Desenvolvimento Regional (FEDER)Fundação para a Ciência e a Tecnologia (FCT) – Programa Operacional “Ciência, Tecnologia, Inovação” - POCTI/CTM/41574/2001, SFRH/BD/11231/2002.ElsevierUniversidade do MinhoRamos, Marta M. D.Correia, Helena M. G.2005-072005-07-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/1822/3394eng"Applied Surface Science". ISSN 0169-4332. 248 (2005) 450-454.0169-433210.1016/j.apsusc.2005.03.071http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THY-4FSCMJN-N-1&_cdi=5295&_user=2459786&_orig=search&_coverDate=07%2F30%2F2005&_sk=997519998&view=c&wchp=dGLbVzb-zSkzV&md5=2b8909b5cb4acfba253951ff0a4c3049&ie=/sdarticle.pdfhttp://www.elsevier.com/wps/find/journaldescription.cws_home/505669/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:RCAAP2023-07-21T12:12:54Zoai:repositorium.sdum.uminho.pt:1822/3394Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T19:04:54.722045Repositório 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 Quantum modelling of photo-excited processes
title Quantum modelling of photo-excited processes
spellingShingle Quantum modelling of photo-excited processes
Ramos, Marta M. D.
Quantum modelling
Photo-excited processes
Solar cell
LED
Conducting polymer
Science & Technology
title_short Quantum modelling of photo-excited processes
title_full Quantum modelling of photo-excited processes
title_fullStr Quantum modelling of photo-excited processes
title_full_unstemmed Quantum modelling of photo-excited processes
title_sort Quantum modelling of photo-excited processes
author Ramos, Marta M. D.
author_facet Ramos, Marta M. D.
Correia, Helena M. G.
author_role author
author2 Correia, Helena M. G.
author2_role author
dc.contributor.none.fl_str_mv Universidade do Minho
dc.contributor.author.fl_str_mv Ramos, Marta M. D.
Correia, Helena M. G.
dc.subject.por.fl_str_mv Quantum modelling
Photo-excited processes
Solar cell
LED
Conducting polymer
Science & Technology
topic Quantum modelling
Photo-excited processes
Solar cell
LED
Conducting polymer
Science & Technology
description In the framework of quantum field theory and the dipole approximation, a self-consistent quantum molecular dynamics method is used to investigate the effect of chain length on the probability of formation or decay of both singlet and triplet excitons due to photon absorption or emission in isolated poly( p-phenylene vinylene) (PPV) chains. We found that the probability of the photoinduced intra-molecular singlet exciton formation and decay increases linearly with chain length and the probability for triplet exciton formation and decay does not depend on the chain length. Polymers with long chains have thus an advantage over small molecules in solar cell and light-emitting diode (LED) applications because their efficiency depends on the number of intramolecular singlet excitons formed or emitted in the device, which is expected to increase with the conjugation length.
publishDate 2005
dc.date.none.fl_str_mv 2005-07
2005-07-01T00:00:00Z
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/1822/3394
url http://hdl.handle.net/1822/3394
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv "Applied Surface Science". ISSN 0169-4332. 248 (2005) 450-454.
0169-4332
10.1016/j.apsusc.2005.03.071
http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THY-4FSCMJN-N-1&_cdi=5295&_user=2459786&_orig=search&_coverDate=07%2F30%2F2005&_sk=997519998&view=c&wchp=dGLbVzb-zSkzV&md5=2b8909b5cb4acfba253951ff0a4c3049&ie=/sdarticle.pdf
http://www.elsevier.com/wps/find/journaldescription.cws_home/505669/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
repository.mail.fl_str_mv
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