Microstructure of room temperature ionic liquids at stepped graphite electrodes
作者： Guang Feng , Song Li , Wei Zhao , Peter T. Cummings
DOI: 10.1002/AIC.14927
关键词: Layering 、 Microstructure 、 Ion 、 Ionic liquid 、 Molecular dynamics 、 Counterion 、 Graphite 、 Materials science 、 Electrode 、 Chemical engineering
摘要: Molecular dynamics simulations of room temperature ionic liquid (RTIL) [emim][TFSI] at stepped graphite electrodes were performed to investigate the influence thickness electrode surface step on microstructure interfacial RTILs. A strong correlation was observed between RTIL structure and in as well ion size. Specifically, when is commensurate with size, layering cation/anion more evident; whereas, tends be less defined close half Furthermore, two-dimensional layers exhibits different patterns alignments counterion/co-ion lattice neutral charged electrodes. As could impose considerable effects diffusion, detailed information RTILs presented here would help understand molecular mechanism RTIL-electrode interfaces supercapacitors. © 2015 American Institute Chemical Engineers AIChE J, 61: 3022–3028,
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