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New Aspects of Enhancing the Graphene Capacitance by Defects in Aqueous Electrolytes and Ionic Liquids

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The influence of internal and external defects in graphene on the capacitance of the graphene/electrolyte interface was explored using Density Functional Theory (DFT) calculations. Aqueous solutions and ionic liquids were considered as electrolyte. The results indicate that in aqueous solutions the intrinsic defects, such as mono- and divacancies, enhance the integral capacitance more effectively than external ones, such as nitrogen impurity and oxygen functional groups, used in practice. On the other hand, the strategy of increasing the integral capacitance by creating defects in graphene is ineffective for ionic liquids with an electrochemical window larger than 2 V.

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ACKNOWLEDGMENTS

The work was carried out using the Skoltech CDISE supercomputer Zhores [45] and supercomputers at Joint Supercomputer Center, Russian Academy of Sciences (JSCC RAS).

Funding

This work was supported by the Ministry of Science and Higher Education of the Russian Federation (theme no. AAAA-A19-119022190058-2, state assignment for the Joint Institute for High Temperatures, Russian Academy of Sciences.

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Authors and Affiliations

  1. Center for Computational and Data-Intensive Science and Engineering, Skolkovo Institute of Science and Technology, 121205, Moscow, Russia

    V. A. Kislenko, S. V. Pavlov & M. V. Fedorov

  2. Joint Institute for High Temperatures, Russian Academy of Sciences, 125412, Moscow, Russia

    V. A. Kislenko, S. V. Pavlov & S. A. Kislenko

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  1. V. A. Kislenko
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  2. S. V. Pavlov
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  3. M. V. Fedorov
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  4. S. A. Kislenko
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Correspondence to V. A. Kislenko or S. A. Kislenko.

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Kislenko, V.A., Pavlov, S.V., Fedorov, M.V. et al. New Aspects of Enhancing the Graphene Capacitance by Defects in Aqueous Electrolytes and Ionic Liquids. Jetp Lett. 114, 263–268 (2021). https://doi.org/10.1134/S0021364021170021

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