Detalhes do Documento

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

Autor(es): Galindo, Levy A. [UNESP] ; Gozzi, Giovani [UNESP] ; Fugikawa-Santos, Lucas [UNESP] ; Faria, Roberto M. ; Lavarda, Francisco C. [UNESP] ; Batagin-Neto, Augusto [UNESP]

Data: 2020

Identificador Persistente: http://hdl.handle.net/11449/199957

Origem: Oasisbr

Assunto(s): Density functional theory; Electronic structure calculations; Fukui indexes; Light-Emitting Electrochemical Cells; Polymer-salt interation; Density functional theory; Density functional theory; Electronic structure calculations; Electronic structure calculations; Fukui indexes; Fukui indexes; Light-Emitting Electrochemical Cells; Light-Emitting Electrochemical Cells; Polymer-salt interation; Polymer-salt interation

Descrição

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Polymer 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 (VEg/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.

São Paulo State University (UNESP), Posmat

São Paulo State University (UNESP) Institute of Geosciences and Exact Sciences Physics Department

University of São Paulo São Carlos Institute of Physics, São Carlos

São Paulo State University (UNESP) School of Sciences Physics Department

São Paulo State University (UNESP) Campus of Itapeva

São Paulo State University (UNESP), Posmat

São Paulo State University (UNESP) Institute of Geosciences and Exact Sciences Physics Department

São Paulo State University (UNESP) School of Sciences Physics Department

São Paulo State University (UNESP) Campus of Itapeva

CNPq: 133770/2017-6

FAPESP: 2007/58991-1

FAPESP: 2013/24461-7