One-step electrodeposited 3D-ternary composite of zirconia nanoparticles, rGO and polypyrrole with enhanced supercapacitor performance

Ana Paula P. Alves; Ryota Koizumi; Atanu Samanta; Leonardo D. Machado; Abhisek K. Singh; Douglas S. Galvao; Glaura G. Silva; Chandra S. Tiwary; Pulickel M. Ajayan

doi:10.1016/j.nanoen.2016.11.018

One-step electrodeposited 3D-ternary composite of zirconia nanoparticles, rGO and polypyrrole with enhanced supercapacitor performance

Ana Paula P. Alves, Ryota Koizumi, Atanu Samanta, Leonardo D. Machado, Abhisek K. Singh, Douglas S. Galvao, Glaura G. Silva, Chandra S. Tiwary, Pulickel M. Ajayan

Research output: Contribution to journal › Article › peer-review

88 Scopus citations

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 (ZrO₂), 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 ZrO₂ 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.

Original language	English
Pages (from-to)	225-232
Number of pages	8
Journal	Nano Energy
Volume	31
DOIs	https://doi.org/10.1016/j.nanoen.2016.11.018
State	Published - 1 Jan 2017
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2016 Elsevier Ltd

Funding

Ana Paula P. Alves gratefully acknowledges the scholarship received from Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq-Brazil) . Glaura G. Silva thanks to FAPEMIG . A.K.S and A.S thanks Super Computer Education Research Centre, IISc, Bangalore, for providing the required computational facilities. LDM and DSG acknowledge Computational and financial support from the Center for Computational Engineering and Sciences at Unicamp through the FAPESP/CEPID Grant No. 2013/08293-7 . LDM acknowledges financial support from the Brazilian Federal Agency CAPES via its PNPD program. C.S. Tiwary acknowledges US Department of Defense : the US Air Force of Scientific Research under the Project MURI: ‘Synthesis and Characterization of 3D Carbon Nanotube Solid Networks’ Award No. FA9550-12-1-0035 .

Funders	Funder number
Brazilian Federal Agency CAPES
CEPID	2013/08293-7
CNPq-Brazil
Center for Computational Engineering and Sciences at Unicamp
US Air Force of Scientific Research	FA9550-12-1-0035
U.S. Department of Defense
Fundação de Amparo à Pesquisa do Estado de São Paulo
Conselho Nacional de Desenvolvimento Científico e Tecnológico

Keywords

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

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1016/j.nanoen.2016.11.018

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title = "One-step electrodeposited 3D-ternary composite of zirconia nanoparticles, rGO and polypyrrole with enhanced supercapacitor performance",

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 (ZrO2), 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 ZrO2 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.",

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doi = "10.1016/j.nanoen.2016.11.018",

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AU - Alves, Ana Paula P.

AU - Koizumi, Ryota

AU - Samanta, Atanu

AU - Machado, Leonardo D.

AU - Singh, Abhisek K.

AU - Galvao, Douglas S.

AU - Silva, Glaura G.

AU - Tiwary, Chandra S.

AU - Ajayan, Pulickel M.

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AB - 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 (ZrO2), 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 ZrO2 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.

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KW - DFT

KW - Electrodeposited ternary composite

KW - MD simulation

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One-step electrodeposited 3D-ternary composite of zirconia nanoparticles, rGO and polypyrrole with enhanced supercapacitor performance

Abstract

Bibliographical note

Funding

Keywords

UN SDGs

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