In supercapacitors based on ionic liquid electrolytes, small amounts of absorbed water could potentially reduce the electrochemical window of electrolytes and cause performance degradation. The same would take place if ionic liquids are used as solvents for electrocatalysis involving the dissolved molecular species. In this work, we carry out molecular dynamics simulations, with gold and carbon electrodes in typical ionic liquids, hydrophobic and hydrophilic, to study electrosorption of water. We investigate the effects of hydrophobicity/hydrophilicity of ionic liquids and electrodes on interfacial distribution of ions and electrosorbed water. Results reveal that using hydrophilic ionic liquids would help to keep water molecules away from the negatively charged electrodes, even at large electrode polarizations. This conclusion is supported by electrochemical cyclic voltammetry measurements on gold and carbon electrodes in contact with humid ionic liquids. Thereby, our findings suggest potential mechanisms for protection of electrodes from water electrosorption.

中文翻译：

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最小化电极上潮湿离子液体对水的电吸附。

在基于离子液体电解质的超级电容器中，少量吸收的水可能会减小电解质的电化学窗口并导致性能下降。如果将离子液体用作涉及溶解的分子种类的电催化溶剂，也会发生同样的情况。在这项工作中，我们使用疏水性和亲水性典型离子液体中的金和碳电极进行分子动力学模拟，以研究水的电吸附。我们研究离子液体和电极的疏水性/亲水性对离子和电吸附水的界面分布的影响。结果表明，即使在较大的电极极化下，使用亲水性离子液体也有助于使水分子远离带负电荷的电极。与潮湿的离子液体接触的金和碳电极上的电化学循环伏安法测量结果支持了这一结论。因此，我们的发现提出了保护电极免受水电吸附的潜在机制。