Sheng Bi,1 Guang Feng,1,* Song Li,1 Nina Balke,2 Peter T. Cummings,3 Rui Qiao,4 Alexei A. Kornyshev5
1State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan, Hubei 430074 China
2Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA
3Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN 37235, USA
4Department of Mechanical Engineering, Virginia Tech, Blacksburg, Virginia 24061, USA
5Department of Chemistry, Imperial College London, SW7 2AZ London, UK
Nano-Micro Conference, 2017, 1, 01022
Published Online: 12 October 2017 (Abstract)
Recently nano-structural carbons have become the most widely used electrode materials in supercapacitor community, because of their high specific surface area, good electrical conductivity, chemical stability in a variety of electrolytes, and relatively low cost. In particular, graphene-based carbons are emerging as an auspicious candidate due to the unique feature of grphane. Among electrolytes used for supercapacitors, ionic liquids (ILs) have been becoming a promising class of them, owing to their exceptionally wide electrochemical stability window, excellent thermal stability, non-volatility and relatively inert nature. Despite considerable work on supercapacitor with graphene-based carbon as electrodes, the details of what happens under nano-confinement, including pores, still require in-depth exploration especially for IL electrolytes.
We studied the interfacial phenomena occurring between ILs and graphene-based electrodes in supercapacitors, using the combined molecular dynamics (MD) simulation by modeling ILs-based EDLs at planar, cylindrical, spherical electrode surfaces and inside electrode pores at nano/micro-scale. This talk would include:
1) MD modeling on ILs-based EDLs at open surfaces (e.g., planar, cylindrical, spherical, with defects, etc.) [1-2] and the integration with experiments (e.g., atomic force microscopy, AFM) [3-4], which would focus on the EDL structure and its influence from ion size, ion type, applied potential, electrode curvature, etc.
2) MD modeling on ILs-based porous carbon supercapacitors [5-7], which would embody the pore size effects on capacitance, the ion dynamics under porous confinement, and pore expansion during charging.
3) The anatomy of electrosorption for water in ionic liquids at electrified interfaces , which would show, for the first time, the work on the adsorption of water on electrode surfaces in contact with humid ILs.
 G. Feng; S. Li; W. Zhao; P. T. Cummings, Microstructure of room temperature ionic liquids at stepped graphite electrodes. AIChE Journal. 61, 3022-3028 (2015). doi:10.1002/aic.14927
 G. Feng; D. E. Jiang; P. T. Cummings, Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces. Journal of Chemical Theory and Computation. 8, 1058-1063 (2012). doi:10.1021/ct200914j
 J. M. Black; D. Walters; A. Labuda; G. Feng; P. C. Hillesheim; S. Dai; P. T. Cummings; S. V. Kalinin; R. Proksch; N. Balke, Bias-dependent molecular-level structure of electrical double layer in ionic liquid on graphite. Nano Letters. 13, 5954-5960 (2013). doi:10.1021/nl4031083
 J. M. Black; M. Baris Okatan; G. Feng; P. T. Cummings; S. V. Kalinin; N. Balke, Topological defects in electric double layers of ionic liquids at carbon interfaces. Nano Energy. 15, 737-745 (2015). doi:10.1016/j.nanoen.2015.05.037
 G. Feng; P. T. Cummings, Supercapacitor capacitance exhibits oscillatory behavior as a function of nanopore size. The Journal of Physical Chemistry Letters. 2, 2859-2864 (2011). doi:10.1021/jz201312e
 G. Feng; S. Li; V. Presser; P. T. Cummings, Molecular Insights into Carbon Supercapacitors Based on Room-Temperature Ionic Liquids. The Journal of Physical Chemistry Letters. 4, 3367-3376 (2013). doi:10.1021/jz4014163
 J. M. Black; G. Feng; P. F. Fulvio; P. C. Hillesheim; S. Dai; Y. Gogotsi; P. T. Cummings; S. V. Kalinin; N. Balke, Strain-Based In Situ Study of Anion and Cation Insertion into Porous Carbon Electrodes with Different Pore Sizes. Advanced Energy Materials. 4, 1300683 (2014). doi:10.1002/aenm.201300683
 G. Feng; X. Jiang; R. Qiao; A. A. Kornyshev, Water in Ionic Liquids at Electrified Interfaces: The Anatomy of Electrosorption. ACS Nano. 8, 11685-11694 (2014). doi:10.1021/nn505017c
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