Electronic processes at interfaces involving conducting polymers
Autor(a) principal: | |
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Data de Publicação: | 1994 |
Outros Autores: | , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/1822/3454 |
Resumo: | We present quantum chemical calculations based on self-consistent molecular dynamics to discuss the processes involved in electroluminescence of conducting polymers (especially trans-polyacetylene (t-PA)). Specifically addressed are issues of finite and variable chain length, and of the charge transfer needed to make the chemical potential for the polymer and the metal Fermi energy equal, a necessary preliminary to calculations of injection dynamics. We examine the effects of the image interaction of carriers with a metal electrode, including the self-consistent prediction of the bonding pattern. Dynamic calculations include carrier mobilities obtained from computer experiments with an applied electric field, and initial studies of the evolution of two oppositely charged polarons into an exciton. There is a complex link between the behaviour of single polymer chains and descriptions of the polymer as a bulk semiconductor. One significant emerging issue concerns the fraction of polymer molecules contributing to electroluminescence. We comment on what can be learnt about the nature of the contact from scanning probe microscopies. A second major issue concerns the nature of the non-radiative processes competing with luminescence and the way this might be influenced. |
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Electronic processes at interfaces involving conducting polymersElectronic processesInterfacesPolyacetyleneDefectsSemiconductorsSurfacesSTMScience & TechnologyWe present quantum chemical calculations based on self-consistent molecular dynamics to discuss the processes involved in electroluminescence of conducting polymers (especially trans-polyacetylene (t-PA)). Specifically addressed are issues of finite and variable chain length, and of the charge transfer needed to make the chemical potential for the polymer and the metal Fermi energy equal, a necessary preliminary to calculations of injection dynamics. We examine the effects of the image interaction of carriers with a metal electrode, including the self-consistent prediction of the bonding pattern. Dynamic calculations include carrier mobilities obtained from computer experiments with an applied electric field, and initial studies of the evolution of two oppositely charged polarons into an exciton. There is a complex link between the behaviour of single polymer chains and descriptions of the polymer as a bulk semiconductor. One significant emerging issue concerns the fraction of polymer molecules contributing to electroluminescence. We comment on what can be learnt about the nature of the contact from scanning probe microscopies. A second major issue concerns the nature of the non-radiative processes competing with luminescence and the way this might be influenced.ElsevierUniversidade do MinhoRamos, Marta M. D.Stoneham, A. M.Sutton, A. P.1994-111994-11-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/1822/3454eng"Synthetic Metals". ISSN 0379-6779. 67 (1994) 137-140 .0379-677910.1016/0379-6779(94)90027-2http://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:RCAAP2023-07-21T12:23:24Zoai:repositorium.sdum.uminho.pt:1822/3454Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T19:17:06.994643Repositório 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 |
Electronic processes at interfaces involving conducting polymers |
title |
Electronic processes at interfaces involving conducting polymers |
spellingShingle |
Electronic processes at interfaces involving conducting polymers Ramos, Marta M. D. Electronic processes Interfaces Polyacetylene Defects Semiconductors Surfaces STM Science & Technology |
title_short |
Electronic processes at interfaces involving conducting polymers |
title_full |
Electronic processes at interfaces involving conducting polymers |
title_fullStr |
Electronic processes at interfaces involving conducting polymers |
title_full_unstemmed |
Electronic processes at interfaces involving conducting polymers |
title_sort |
Electronic processes at interfaces involving conducting polymers |
author |
Ramos, Marta M. D. |
author_facet |
Ramos, Marta M. D. Stoneham, A. M. Sutton, A. P. |
author_role |
author |
author2 |
Stoneham, A. M. Sutton, A. P. |
author2_role |
author author |
dc.contributor.none.fl_str_mv |
Universidade do Minho |
dc.contributor.author.fl_str_mv |
Ramos, Marta M. D. Stoneham, A. M. Sutton, A. P. |
dc.subject.por.fl_str_mv |
Electronic processes Interfaces Polyacetylene Defects Semiconductors Surfaces STM Science & Technology |
topic |
Electronic processes Interfaces Polyacetylene Defects Semiconductors Surfaces STM Science & Technology |
description |
We present quantum chemical calculations based on self-consistent molecular dynamics to discuss the processes involved in electroluminescence of conducting polymers (especially trans-polyacetylene (t-PA)). Specifically addressed are issues of finite and variable chain length, and of the charge transfer needed to make the chemical potential for the polymer and the metal Fermi energy equal, a necessary preliminary to calculations of injection dynamics. We examine the effects of the image interaction of carriers with a metal electrode, including the self-consistent prediction of the bonding pattern. Dynamic calculations include carrier mobilities obtained from computer experiments with an applied electric field, and initial studies of the evolution of two oppositely charged polarons into an exciton. There is a complex link between the behaviour of single polymer chains and descriptions of the polymer as a bulk semiconductor. One significant emerging issue concerns the fraction of polymer molecules contributing to electroluminescence. We comment on what can be learnt about the nature of the contact from scanning probe microscopies. A second major issue concerns the nature of the non-radiative processes competing with luminescence and the way this might be influenced. |
publishDate |
1994 |
dc.date.none.fl_str_mv |
1994-11 1994-11-01T00:00:00Z |
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/1822/3454 |
url |
http://hdl.handle.net/1822/3454 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
"Synthetic Metals". ISSN 0379-6779. 67 (1994) 137-140 . 0379-6779 10.1016/0379-6779(94)90027-2 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 |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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