title: Microscopic Barrier Mechanism of Ion Transport through Liquid-Liquid Interface.
abstract: Microscopic mechanism of ion transport through water-oil interface was investigated with molecular dynamics simulation. The formation/breaking of a water finger during the ion passage was explicitly formulated in the free energy surface. The calculated 2D free energy surface clearly revealed a hidden barrier of ion passage accompanied by the water finger. This barrier elucidates the retarded rate of interfacial ion transfer.
authors.affiliation: †Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan.
authors.forename: Nobuaki
authors.initials: N
authors.lastname: Kikkawa
authors.affiliation: †Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan.
authors.forename: Lingjian
authors.initials: L
authors.lastname: Wang
authors.affiliation: †Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan.|‡Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8520, Japan.
authors.forename: Akihiro
authors.initials: A
authors.lastname: Morita