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Nano energy v.31, 2017년, pp.225 - 232   SCIE
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One-step electrodeposited 3D-ternary composite of zirconia nanoparticles, rGO and polypyrrole with enhanced supercapacitor performance

Alves, Ana Paula P. (Department of Materials Science and NanoEngineering, Rice University, Houston, TX 77005, USA ) ; Koizumi, Ryota (Department of Materials Science and NanoEngineering, Rice University, Houston, TX 77005, USA ) ; Samanta, Atanu (Materials Research Centre, Indian Institute of Science, Bangalore 560012, India ) ; Machado, Leonardo D. (Departamento de Física Aplicada, Universidade Estadual de Campinas, Campinas, SP 13083-959, Brazil ) ; Singh, Abhisek K. (Materials Research Centre, Indian Institute of Science, Bangalore 560012, India ) ; Galvao, Douglas S. (Departamento de Física Aplicada, Universidade Estadual de Campinas, Campinas, SP 13083-959, Brazil ) ; Silva, Glaura G. (Departamento de Química, Universidade Federal de Minas Gerais, Av. Antônio Carlos, 6627, Pampulha, 31270-901 Belo Horizonte, MG, Brazil ) ; Tiwary, Chandra S. (Department of Materials Science and NanoEngineering, Rice University, Houston, TX 77005, USA ) ; Ajayan, Pulickel M. (Department of Materials Science and NanoEngineering, Rice University, Houston, TX 77005, USA ) ;
  • 초록  

    Abstract Supercapacitor electrodes consisting of conjugated polymers (CP), metal oxides and graphene nanosheets have been explored as a strategy to achieve high specific capacitance, power, energy density, and stability. In this work, we synthesized a 3D structure composed of zirconia oxide nanoparticles (ZrO 2 ), reduced graphene oxide (rGO) and polypyrrole (PPy), using a simple and easily scalable one-step chronopotentiometry method. Detailed characterization revealed that the addition of rGO and ZrO 2 modified the morphology of the electrode material. The capacitance of the resulting architecture improved by up to a 100%. The ternary composite featured high stability, with an increase of 5% in capacitance after a thousand cycles. DFT and MD simulations were carried out in order to provide further insight on the role of zirconia. Highlights 3D architecture is fabricated by atomically thin 2D sheets of GO and ZrO 2 nanoparticle as the building blocks using a facile one-pot chronopotentiometry method. Highly stable, conductive additive and binder free supercapacitor electrode shows superior electrochemical properties. The synergistic effect between the components and the tailored morphology enhances the electrochemical performance and material stability. Possible correlation of the structure and electrochemical performance of the 3D ternary composite is substantiatedusing a fully atomistic molecular dynamics (MD) simulation and DFT calculations. Graphical abstract [DISPLAY OMISSION]


  • 주제어

    Electrodeposited ternary composite .   ZrO2/rGO/PPy .   3D-ternary electrode .   Supercapacitor .   DFT .   MD simulation.  

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