<br/>Protic ionic liquids (PILs) are a subset of ionic liquids in which the cation contains a labile proton. PILs have recently been shown to have the ability to move protons across a system via the Grotthuss mechanism where they undergo proton transfer between species. This suggests they are capable of rapid proton transport, making them a possible candidate for hydrogen fuel cells, which require the transport of protons in order to conduct charge. Various solvents such as imidazole or water have been shown to facilitate proton transfer in a variety of liquid systems, including PILs. In this project, we investigate the effect of adding solvent molecules to PILs using <i>ab initio</i> molecular dynamics. In particular, we study how the addition of solvent promotes proton transfer and how this enhances long-range transport.

Effects of solvent added to protic ionic liquids and how it impacts proton transfer

ACS Spring 2022

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