Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description

Bibliographic Details
Main Author: Petrov, Elmar G.
Publication Date: 2020
Other Authors: Gorbach, Victor V., Ragulya, Andrey V., Lyubchik, Andrey, Lyubchik, Svetlana
Format: Article
Language: eng
Source: Repositórios Científicos de Acesso Aberto de Portugal (RCAAP)
Download full: http://hdl.handle.net/10362/121025
Summary: Project No. 0116U002067 Grant No. 871284
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spelling Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic descriptionPhysics and Astronomy(all)Physical and Theoretical ChemistryProject No. 0116U002067 Grant No. 871284A theoretical study of the mechanisms of electroluminescence (EL) generation in photoactive molecules with donor and acceptor centers linked by saturated σ-bonds (molecules of the Aviram-Ratner-type) is presented. The approach is based on the kinetics of single-electron transitions between many-body molecular states. This study shows that the EL polarity arises due to asymmetric coupling of molecular orbitals of the photochromic part of the molecule to the electrodes. The gate voltage controls the power of the EL through the occupancy of the excited singlet state. The shifting of the orbital energies forms a resonant or a non-resonant path for the transmission of electrons through the molecule. The action of the gate voltage is reflected in specific critical voltages. An analytical dependence of the critical voltages on the energies of molecular states involved in the formation of EL, as well as on the gate voltage, was derived for both positive and negative polarities. Conditions under which the gate voltage lowers the absolute value of the bias voltage that is responsible for the activation of the resonance mechanism of EL formation were also established. This is an important factor in control of EL in molecular junctions.DQ - Departamento de QuímicaLAQV@REQUIMTERUNPetrov, Elmar G.Gorbach, Victor V.Ragulya, Andrey V.Lyubchik, AndreyLyubchik, Svetlana2021-07-14T22:21:57Z2020-08-282020-08-28T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10362/121025eng0021-9606PURE: 32543473https://doi.org/10.1063/5.0018574info: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:RCAAP2024-05-22T17:54:35Zoai:run.unl.pt:10362/121025Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireinfo@rcaap.ptopendoar:https://opendoar.ac.uk/repository/71602025-05-28T17:25:28.330228Repositórios 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 Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description
title Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description
spellingShingle Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description
Petrov, Elmar G.
Physics and Astronomy(all)
Physical and Theoretical Chemistry
title_short Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description
title_full Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description
title_fullStr Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description
title_full_unstemmed Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description
title_sort Gate-tunable electroluminescence in Aviram-Ratner-type molecules: Kinetic description
author Petrov, Elmar G.
author_facet Petrov, Elmar G.
Gorbach, Victor V.
Ragulya, Andrey V.
Lyubchik, Andrey
Lyubchik, Svetlana
author_role author
author2 Gorbach, Victor V.
Ragulya, Andrey V.
Lyubchik, Andrey
Lyubchik, Svetlana
author2_role author
author
author
author
dc.contributor.none.fl_str_mv DQ - Departamento de Química
LAQV@REQUIMTE
RUN
dc.contributor.author.fl_str_mv Petrov, Elmar G.
Gorbach, Victor V.
Ragulya, Andrey V.
Lyubchik, Andrey
Lyubchik, Svetlana
dc.subject.por.fl_str_mv Physics and Astronomy(all)
Physical and Theoretical Chemistry
topic Physics and Astronomy(all)
Physical and Theoretical Chemistry
description Project No. 0116U002067 Grant No. 871284
publishDate 2020
dc.date.none.fl_str_mv 2020-08-28
2020-08-28T00:00:00Z
2021-07-14T22:21:57Z
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/10362/121025
url http://hdl.handle.net/10362/121025
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 0021-9606
PURE: 32543473
https://doi.org/10.1063/5.0018574
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.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
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