Electrochemical double layer structure at the graphene/[BMIM][PF 6] interface: A molecular dynamics study

E. Paek, G. S. Hwang

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Scopus citations

Abstract

We present the structure of [BMIM][PF 6] near the interface with graphene based on classical molecular dynamics simulations. We find that the ionic liquid forms a solid-like 3-ion-thick layer when the graphene surface is uncharged, while charging of the graphene electrode leads to the formation of thicker alternatively charged layers. Cationic [BMIM] lies flat near the uncharged or negatively charged graphene, and the orientation of the alkyl tail tends to depend on the degree of electrode charging.

Original languageEnglish
Title of host publicationNanostructured Materials for Energy Storage and Conversion
Pages217-226
Number of pages10
Edition34
DOIs
StatePublished - 2011
EventNanostructured Materials for Energy Storage and Conversion - 219th ECS Meeting - Montreal, QC, Canada
Duration: 1 May 20116 May 2011

Publication series

NameECS Transactions
Number34
Volume35
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Conference

ConferenceNanostructured Materials for Energy Storage and Conversion - 219th ECS Meeting
Country/TerritoryCanada
CityMontreal, QC
Period1/05/116/05/11

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