A broad fundamental understanding of the design and properties of ionic liquids underpins their developing and future applications, which include accessing cellulosic polymers and renewable chemicals from biomass, production of cleaner fuels, remediating environmental pollution from toxic heavy metals, as well as new materials for cleaner, efficient batteries and fuel cells. This proposed study aims to explore the complex structures formed at the atomic level within ionic liquid systems of interest for use in fuel cells, and to help better our understanding of the mechanisms that can be used to control their fundamental properties.