Computational study of the presence of defects in semiconducting polymers on exciton formation

Bibliographic Details
Main Author: Correia, Helena M. G.
Publication Date: 2011
Other Authors: Barbosa, Helder M. C., Ramos, Marta M. D.
Language: eng
Source: Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
Download full: http://hdl.handle.net/1822/13507
Summary: Although semiconducting polymers are very attractive to be used in optoelectronic devices due to their molecular structure, they are not pristine semiconductors. After deposition it is possible to find out several structural and chemical defects, with different origins, that strongly influence exciton dynamics since they create deep energetic sites, where excitons can migrate leading to their quenching or reducing exciton diffusion length. By using a self-consistent quantum molecular dynamics method we performed a computational study to understand the influence of well-known polymer defects on excitons dynamics. Our results show that these defects influences mainly intramolecular exciton localization and exciton energy.
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spelling Computational study of the presence of defects in semiconducting polymers on exciton formationQuantum modellingSinglet excitonTriplet excitonExciton formation energySemiconductor polymerScience & TechnologyAlthough semiconducting polymers are very attractive to be used in optoelectronic devices due to their molecular structure, they are not pristine semiconductors. After deposition it is possible to find out several structural and chemical defects, with different origins, that strongly influence exciton dynamics since they create deep energetic sites, where excitons can migrate leading to their quenching or reducing exciton diffusion length. By using a self-consistent quantum molecular dynamics method we performed a computational study to understand the influence of well-known polymer defects on excitons dynamics. Our results show that these defects influences mainly intramolecular exciton localization and exciton energy.We are indebted to the Portuguese Foundation for Science and Technology (FCT) for financial support under the contract CONC-REEQ/443/EEI/2005. One of us (H.M.G.C.) is also indebted to FCT for financial support under the post-doctoral grant no. SFRH/BPD/64554/2009.Society of Photo-optical Instrumentation Engineers (SPIE)Universidade do MinhoCorreia, Helena M. G.Barbosa, Helder M. C.Ramos, Marta M. D.2011-082011-08-01T00:00:00Zconference paperinfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://hdl.handle.net/1822/13507eng97808194857550277-786X10.1117/12.892203info:eu-repo/semantics/openAccessreponame:Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiainstacron:RCAAP2024-05-11T06:01:23Zoai:repositorium.sdum.uminho.pt:1822/13507Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireinfo@rcaap.ptopendoar:https://opendoar.ac.uk/repository/71602025-05-28T15:38:18.402439Repositórios Científicos de Acesso Aberto de Portugal (RCAAP) - FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologiafalse
dc.title.none.fl_str_mv Computational study of the presence of defects in semiconducting polymers on exciton formation
title Computational study of the presence of defects in semiconducting polymers on exciton formation
spellingShingle Computational study of the presence of defects in semiconducting polymers on exciton formation
Correia, Helena M. G.
Quantum modelling
Singlet exciton
Triplet exciton
Exciton formation energy
Semiconductor polymer
Science & Technology
title_short Computational study of the presence of defects in semiconducting polymers on exciton formation
title_full Computational study of the presence of defects in semiconducting polymers on exciton formation
title_fullStr Computational study of the presence of defects in semiconducting polymers on exciton formation
title_full_unstemmed Computational study of the presence of defects in semiconducting polymers on exciton formation
title_sort Computational study of the presence of defects in semiconducting polymers on exciton formation
author Correia, Helena M. G.
author_facet Correia, Helena M. G.
Barbosa, Helder M. C.
Ramos, Marta M. D.
author_role author
author2 Barbosa, Helder M. C.
Ramos, Marta M. D.
author2_role author
author
dc.contributor.none.fl_str_mv Universidade do Minho
dc.contributor.author.fl_str_mv Correia, Helena M. G.
Barbosa, Helder M. C.
Ramos, Marta M. D.
dc.subject.por.fl_str_mv Quantum modelling
Singlet exciton
Triplet exciton
Exciton formation energy
Semiconductor polymer
Science & Technology
topic Quantum modelling
Singlet exciton
Triplet exciton
Exciton formation energy
Semiconductor polymer
Science & Technology
description Although semiconducting polymers are very attractive to be used in optoelectronic devices due to their molecular structure, they are not pristine semiconductors. After deposition it is possible to find out several structural and chemical defects, with different origins, that strongly influence exciton dynamics since they create deep energetic sites, where excitons can migrate leading to their quenching or reducing exciton diffusion length. By using a self-consistent quantum molecular dynamics method we performed a computational study to understand the influence of well-known polymer defects on excitons dynamics. Our results show that these defects influences mainly intramolecular exciton localization and exciton energy.
publishDate 2011
dc.date.none.fl_str_mv 2011-08
2011-08-01T00:00:00Z
dc.type.driver.fl_str_mv conference paper
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/1822/13507
url http://hdl.handle.net/1822/13507
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 9780819485755
0277-786X
10.1117/12.892203
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 Society of Photo-optical Instrumentation Engineers (SPIE)
publisher.none.fl_str_mv Society of Photo-optical Instrumentation Engineers (SPIE)
dc.source.none.fl_str_mv reponame:Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
instname:FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
instacron:RCAAP
instname_str FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
instacron_str RCAAP
institution RCAAP
reponame_str Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
collection Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
repository.name.fl_str_mv Repositórios Científicos de Acesso Aberto de Portugal (RCAAP) - FCCN, serviços digitais da FCT – Fundação para a Ciência e a Tecnologia
repository.mail.fl_str_mv info@rcaap.pt
_version_ 1833595441176903680

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