title: Computer Simulation Study of Graphene Oxide Supercapacitors: Charge Screening Mechanism.
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.
authors.affiliation: Department of Chemistry, Seoul National University , Seoul 08826, Korea.
authors.forename: Sang-Won
authors.initials: SW
authors.lastname: Park
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Andrew D
authors.initials: AD
authors.lastname: DeYoung
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
authors.forename: Nilesh R
authors.initials: NR
authors.lastname: Dhumal
authors.affiliation: Department of Chemistry, Seoul National University , Seoul 08826, Korea.
authors.forename: Youngseon
authors.initials: Y
authors.lastname: Shim
authors.affiliation: Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.|School of Computational Sciences, Korea Institute for Advanced Study , Seoul 02455, Korea.
authors.forename: Hyung J
authors.initials: HJ
authors.lastname: Kim
authors.affiliation: Department of Chemistry, Seoul National University , Seoul 08826, Korea.
authors.forename: YounJoon
authors.initials: Y
authors.lastname: Jung