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  • Title: Computer Simulation Study of Graphene Oxide Supercapacitors: Charge Screening Mechanism.
    Author: Park SW, DeYoung AD, Dhumal NR, Shim Y, Kim HJ, Jung Y.
    Journal: J Phys Chem Lett; 2016 Apr 07; 7(7):1180-6. PubMed ID: 26966918.
    Abstract:
    Graphene oxide supercapacitors in the parallel plate configuration are studied via molecular dynamics (MD) simulations. The full range of electrode oxidation from 0 to 100% is examined by oxidizing the graphene surface with hydroxyl groups. Two different electrolytes, 1-ethyl-3-methylimidazolium tetrafluoroborate (EMI(+)BF4(-)) as an ionic liquid and its 1.3 M solution in acetonitrile as an organic electrolyte, are considered. While the area-specific capacitance tends to decrease with increasing electrode oxidation for both electrolytes, its details show interesting differences between the organic electrolyte and ionic liquid, including the extent of decrease. For detailed insight into these differences, the screening mechanisms of electrode charges by electrolytes and their variations with electrode oxidation are analyzed with special attention paid to the aspects shared by and the contrasts between the organic electrolyte and ionic liquid.
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