Investigation of the polymer-salt interactions in polymeric light emitting electrochemical cells: Electronic structure calculations and experimental studies

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidade Estadual Paulista (Unesp)-
Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.creatorGalindo, Levy A. [UNESP]-
Autor(es): dc.creatorGozzi, Giovani [UNESP]-
Autor(es): dc.creatorFugikawa-Santos, Lucas [UNESP]-
Autor(es): dc.creatorFaria, Roberto M.-
Autor(es): dc.creatorLavarda, Francisco C. [UNESP]-
Autor(es): dc.creatorBatagin-Neto, Augusto [UNESP]-
Data de aceite: dc.date.accessioned2022-02-22T00:28:55Z-
Data de disponibilização: dc.date.available2022-02-22T00:28:55Z-
Data de envio: dc.date.issued2020-12-11-
Data de envio: dc.date.issued2020-12-11-
Data de envio: dc.date.issued2020-04-01-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1016/j.orgel.2020.105629-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/199957-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/199957-
Descrição: dc.descriptionPolymer light-emitting electrochemical cells (PLECs) are organic electronic devices which operating mechanism depends on the injection and transport of electronic charge carrier and the electrochemical doping of the organic semiconductor. The details of the interactions between the salt (or its ions) and the semiconducting polymer composing the device active layer provide important information about the electronic processes associated to the device operation in steady-state. In this context, the present paper proposes a study where theoretical results from Density Functional Theory (DFT) were obtained for three different steady-state operational regimes: i) without external voltage, in which the undissociated salt molecules interact with uncharged semiconducting polymer; ii) for applied voltages lower than the device turn-on (V<Eg/e), in which dissociated ions interact with uncharged semiconducting polymer; iii) for applied voltages higher than the turn-on (V>Eg/e), in which the dissociated ions interact with charged semiconducting polymer. In addition, the theoretical results have been confronted with experimental results of PLECs fabricated using different salt concentrations. For both theoretical and experimental approaches, we considered lithium triflate as the salt compound and poly[(9,9-dioctylfluorenyl-2,7-diyl)-co-(1,4-vinylenephenylene)] (F8PV) as the semiconducting polymer. We observed substantial changes in the electronic structure of the systems at the different operating regimes, which were interpreted in terms of the electronic charge injection from the electrodes and the electrochemical doping of the semiconducting polymer.-
Descrição: dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)-
Descrição: dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
Descrição: dc.descriptionCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)-
Descrição: dc.descriptionSão Paulo State University (UNESP), Posmat-
Descrição: dc.descriptionSão Paulo State University (UNESP) Institute of Geosciences and Exact Sciences Physics Department-
Descrição: dc.descriptionUniversity of São Paulo São Carlos Institute of Physics, São Carlos-
Descrição: dc.descriptionSão Paulo State University (UNESP) School of Sciences Physics Department-
Descrição: dc.descriptionSão Paulo State University (UNESP) Campus of Itapeva-
Descrição: dc.descriptionSão Paulo State University (UNESP), Posmat-
Descrição: dc.descriptionSão Paulo State University (UNESP) Institute of Geosciences and Exact Sciences Physics Department-
Descrição: dc.descriptionSão Paulo State University (UNESP) School of Sciences Physics Department-
Descrição: dc.descriptionSão Paulo State University (UNESP) Campus of Itapeva-
Descrição: dc.descriptionCNPq: 133770/2017-6-
Descrição: dc.descriptionFAPESP: 2007/58991-1-
Descrição: dc.descriptionFAPESP: 2013/24461-7-
Descrição: dc.descriptionFAPESP: 2014/20410-1-
Descrição: dc.descriptionCAPES: 23038.004680/2015-01-
Descrição: dc.descriptionCNPq: 420449/2018-3-
Descrição: dc.descriptionCNPq: 448310/2014-7-
Idioma: dc.languageen-
Relação: dc.relationOrganic Electronics-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectDensity functional theory-
Palavras-chave: dc.subjectElectronic structure calculations-
Palavras-chave: dc.subjectFukui indexes-
Palavras-chave: dc.subjectLight-Emitting Electrochemical Cells-
Palavras-chave: dc.subjectPolymer-salt interation-
Título: dc.titleInvestigation of the polymer-salt interactions in polymeric light emitting electrochemical cells: Electronic structure calculations and experimental studies-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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