New Aspects of Enhancing the Graphene Capacitance by Defects in Aqueous Electrolytes and Ionic Liquids
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...
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| Published in | JETP letters Vol. 114; no. 5; pp. 263 - 268 |
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| Main Authors | , , , |
| Format | Journal Article |
| Language | English |
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Moscow
Pleiades Publishing
01.09.2021
Springer Nature B.V |
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| Abstract | 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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| AbstractList | 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. |
| Author | Pavlov, S. V. Fedorov, M. V. Kislenko, S. A. Kislenko, V. A. |
| Author_xml | – sequence: 1 givenname: V. A. surname: Kislenko fullname: Kislenko, V. A. email: vitaliy.kislenko@skoltech.ru organization: Center for Computational and Data-Intensive Science and Engineering, Skolkovo Institute of Science and Technology, Joint Institute for High Temperatures, Russian Academy of Sciences – sequence: 2 givenname: S. V. surname: Pavlov fullname: Pavlov, S. V. organization: Center for Computational and Data-Intensive Science and Engineering, Skolkovo Institute of Science and Technology, Joint Institute for High Temperatures, Russian Academy of Sciences – sequence: 3 givenname: M. V. surname: Fedorov fullname: Fedorov, M. V. organization: Center for Computational and Data-Intensive Science and Engineering, Skolkovo Institute of Science and Technology – sequence: 4 givenname: S. A. surname: Kislenko fullname: Kislenko, S. A. email: kislenko@ihed.ras.ru organization: Joint Institute for High Temperatures, Russian Academy of Sciences |
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| Copyright | Pleiades Publishing, Inc. 2021. ISSN 0021-3640, JETP Letters, 2021, Vol. 114, No. 5, pp. 263–268. © Pleiades Publishing, Inc., 2021. ISSN 0021-3640, JETP Letters, 2021. © Pleiades Publishing, Inc., 2021. Russian Text © The Author(s), 2021, published in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2021, Vol. 114, No. 5, pp. 311–317. |
| Copyright_xml | – notice: Pleiades Publishing, Inc. 2021. ISSN 0021-3640, JETP Letters, 2021, Vol. 114, No. 5, pp. 263–268. © Pleiades Publishing, Inc., 2021. ISSN 0021-3640, JETP Letters, 2021. © Pleiades Publishing, Inc., 2021. Russian Text © The Author(s), 2021, published in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2021, Vol. 114, No. 5, pp. 311–317. |
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| Snippet | The influence of internal and external defects in graphene on the capacitance of the graphene/electrolyte interface was explored using Density Functional... |
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| SubjectTerms | Aqueous electrolytes Aqueous solutions Atomic Biological and Medical Physics Biophysics Capacitance Condensed Matter Defects Density functional theory Divacancies Electrolytes Functional groups Graphene Ionic liquids Ions Molecular Optical and Plasma Physics Particle and Nuclear Physics Physics Physics and Astronomy Quantum Information Technology Solid State Physics Spintronics |
| Title | New Aspects of Enhancing the Graphene Capacitance by Defects in Aqueous Electrolytes and Ionic Liquids |
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