Microstructure of room temperature ionic liquids at stepped graphite electrodes

Feng, Guang; Li, Song; Zhao, Wei; Cummings, Peter T.

doi:10.1002/aic.14927

Title: Microstructure of room temperature ionic liquids at stepped graphite electrodes

Journal Article · Tue Jul 14 00:00:00 EDT 2015 · AIChE Journal

DOI:https://doi.org/10.1002/aic.14927· OSTI ID:1265602

Feng, Guang ^[1]; Li, Song ^[1]; Zhao, Wei ^[1]; Cummings, Peter T. ^[2]

Huazhong Univ. of Science and Technology, Wuhan (China). State Key Laboratory of Coal Combustion, School of Energy and Power Engineering
Vanderbilt Univ., Nashville, TN (United States). Dept. of Chemical and Biomolecular Engineering

Molecular dynamics simulations of room temperature ionic liquid (RTIL) [emim][TFSI] at stepped graphite electrodes were performed to investigate the influence of the thickness of the electrode surface step on the microstructure of interfacial RTILs. A strong correlation was observed between the interfacial RTIL structure and the step thickness in electrode surface as well as the ion size. Specifically, when the step thickness is commensurate with ion size, the interfacial layering of cation/anion is more evident; whereas, the layering tends to be less defined when the step thickness is close to the half of ion size. Furthermore, two-dimensional microstructure of ion layers exhibits different patterns and alignments of counter-ion/co-ion lattice at neutral and charged electrodes. As the cation/anion layering could impose considerable effects on ion diffusion, the detailed information of interfacial RTILs at stepped graphite presented here would help to understand the molecular mechanism of RTIL-electrode interfaces in supercapacitors.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1265602

Journal Information:: AIChE Journal, Vol. 61, Issue 9; ISSN 0001-1541

Publisher:: American Institute of Chemical EngineersCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 29 works

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