最小化电极对湿离子液体中水的电吸附。
Minimizing the electrosorption of water from humid ionic liquids on electrodes.
机构信息
State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology (HUST), 430074, Wuhan, China.
State Key Laboratory for Physical Chemistry of Solid Surfaces, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, 361005, Xiamen, China.
出版信息
Nat Commun. 2018 Dec 4;9(1):5222. doi: 10.1038/s41467-018-07674-0.
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.
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降低电解质的电化学窗口并导致性能下降。如果离子液体被用作涉及溶解分子物种的电催化的溶剂，也会发生同样的情况。在这项工作中，我们进行了分子动力学模拟，使用典型的离子液体中的金和碳电极，疏水性和亲水性，来研究水的电吸附。我们研究了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，使用亲水性离子液体有助于将水分子远离带负电荷的电极，即使在电极极化较大的情况下也是如此。这一结论得到了在与湿离子液体接触的金和碳电极上进行电化学循环伏安测量的支持。因此，我们的发现为保护电极免受水电吸附提供了潜在的机制。
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