Abstract
Aqueous ammonium-ion batteries have emerged as a research focus in recent years because of their distinctive advantages. Nevertheless, issues such as the side reaction of water, electrode element dissolution and others have an impact on their stability. The experimental findings demonstrate that the system incorporating ionic liquids (ILs) exhibits gratifying electrochemical performance. The Molecular Dynamics (MD) simulation approach was employed to investigate the alterations of NH4Cl aqueous batteries prior to and subsequent to the addition of imidazolium ionic liquids (ILs), with a focus on the impact on the anode's interface. It is found that the addition of ILs can reduce the interfacial water’s content at low charge. Interestingly, in the case of high charge, the water content at the interface didn’t decrease; instead, it increased. This phenomenon is associated with the initial increase followed by a decrease in the number of ionic liquid (IL) cations. Three conformations for IL cations were found near the interface, which are “parallel”, “slant” and “vertical”, and the proportion of the three had a certain influence on the content of interfacial water. The "parallel" configuration is more effective in reducing the interfacial water content, establishing it as the dominant conformation. The findings reported above will offer new theoretical support for the design and modification of aqueous ammonium ion electrolytes.
Published Version
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