Features of superexchange nonresonant tunneling conductance in anchored molecular wires

Detalhes bibliográficos
Autor(a) principal: Petrov, Elmar G.
Data de Publicação: 2019
Outros Autores: Shevchenko, Yevgen V., Snitsarev, Vladislav, Gorbach, Victor V., Ragulya, Andrey V., Lyubchik, Svetlana
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/104748
Resumo: NAS Ukraine via Project No. 0116U002067
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spelling Features of superexchange nonresonant tunneling conductance in anchored molecular wiresPhysics and Astronomy(all)NAS Ukraine via Project No. 0116U002067A modified superexchange model is used to clarify the physical mechanisms for the formation of nonresonant tunneling conductance in terminated molecular wires. Due to the specific relationship between its key parameters, this model has wider areas of applicability compared to the flat-barrier model and the standard superexchange model, which are widely involved for the physical interpretation of experimental results. Moreover, the results obtained in the two latest models appear in the modified model as characteristic limiting cases. Our estimates show that the exponential decay of conductance, characterized by an attenuation factor β (per repeating unit), is limited by the conditions β ≤ 1.2 and β ≥ 3.7 for the flat-barrier and standard models, respectively. At the same time, the modified superexchange model yields β > 0, which, thus, allows us to analyze the tunneling conductance in molecular wires containing both saturated and conjugated bonds. We also show that for a small number of N repeating wire units (about 3-6 depending on the value of β), the exponential dependence of conductance on N is violated and, accordingly, contact conductance is not identical to conductance at N = 0. Formulas are found which, on the basis of experimental data, make it possible to establish the values of superexchange parameters as well as indicate the conditions of possible hybridization between the orbitals of the anchor groups and the adjacent end units belonging to the interior wire region. One example is the establishment of features in the tunneling conductance of terminated alkane chains caused by the nature of their anchor groups.DQ - Departamento de QuímicaLAQV@REQUIMTERUNPetrov, Elmar G.Shevchenko, Yevgen V.Snitsarev, VladislavGorbach, Victor V.Ragulya, Andrey V.Lyubchik, Svetlana2020-09-25T22:22:22Z2019-11-012019-11-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10362/104748eng2158-3226PURE: 19003871https://doi.org/10.1063/1.5124386info: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:RCAAP2024-03-11T04:50:17Zoai:run.unl.pt:10362/104748Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:40:20.202388Repositório 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 Features of superexchange nonresonant tunneling conductance in anchored molecular wires
title Features of superexchange nonresonant tunneling conductance in anchored molecular wires
spellingShingle Features of superexchange nonresonant tunneling conductance in anchored molecular wires
Petrov, Elmar G.
Physics and Astronomy(all)
title_short Features of superexchange nonresonant tunneling conductance in anchored molecular wires
title_full Features of superexchange nonresonant tunneling conductance in anchored molecular wires
title_fullStr Features of superexchange nonresonant tunneling conductance in anchored molecular wires
title_full_unstemmed Features of superexchange nonresonant tunneling conductance in anchored molecular wires
title_sort Features of superexchange nonresonant tunneling conductance in anchored molecular wires
author Petrov, Elmar G.
author_facet Petrov, Elmar G.
Shevchenko, Yevgen V.
Snitsarev, Vladislav
Gorbach, Victor V.
Ragulya, Andrey V.
Lyubchik, Svetlana
author_role author
author2 Shevchenko, Yevgen V.
Snitsarev, Vladislav
Gorbach, Victor V.
Ragulya, Andrey V.
Lyubchik, Svetlana
author2_role author
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.
Shevchenko, Yevgen V.
Snitsarev, Vladislav
Gorbach, Victor V.
Ragulya, Andrey V.
Lyubchik, Svetlana
dc.subject.por.fl_str_mv Physics and Astronomy(all)
topic Physics and Astronomy(all)
description NAS Ukraine via Project No. 0116U002067
publishDate 2019
dc.date.none.fl_str_mv 2019-11-01
2019-11-01T00:00:00Z
2020-09-25T22:22:22Z
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/10362/104748
url http://hdl.handle.net/10362/104748
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 2158-3226
PURE: 19003871
https://doi.org/10.1063/1.5124386
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: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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