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Revealing Transient Shuttling Mechanism of Catalytic Ion Transport through Liquid–Liquid Interface

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journal contribution
posted on 11.02.2020, 21:44 by Ai Koizumi, Hirofumi Tahara, Tomonori Hirano, Akihiro Morita
Hard, hydrophilic ions that hardly transport over the water–oil interface by imposing external electric potential could undergo facile transport with a trace of ligand. Such phenomena, called “shuttling”, are elucidated by microscopic investigation with molecular dynamics simulations. The catalytic role manifests itself in a 2-D free-energy surface within the nanometer range of the interface. The free-energy landscape clearly distinguishes the condition that the catalytic shuttling plays a vital role in the ion transport. The mechanism associated with transient complex formation at the interface is shown to be widely relevant to the ion kinetics and extends the conventional concept of facilitated ion transport.