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Bidirectional Transport Phenomenon of Ions in Electric Fields Due to the Cluster Formation in Two-Dimensional Graphene Channels
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2022-12-14 , DOI: 10.1021/acs.jpcc.2c06674 Xinke Zhang 1 , Shuang Li 1 , Shiwu Gao 2 , Jiaye Su 1
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2022-12-14 , DOI: 10.1021/acs.jpcc.2c06674 Xinke Zhang 1 , Shuang Li 1 , Shiwu Gao 2 , Jiaye Su 1
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In aqueous solution, cations and anions are known to be moving oppositely and unidirectionally in electric fields. In this work, we observe an abnormal bidirectional ion transport phenomenon in electric fields because of the formation of ion clusters in two-dimensional graphene channels. A series of molecular dynamic simulations reveal that the separated ions within two-dimensional graphene channels will rapidly assemble into individual clusters under the electric field, originating from the confinement-induced effective ionic interactions as well as the strongly compressed hydration shells of ions. Notably, owing to the competition between ionic interaction and electric field, the structure of ion clusters changes from a square-unit pattern to chain-like with the increase in electric field, and the cluster size displays a maximum behavior. As a result, the motion of cations and anions in these clusters will be strongly coupled to each other, leading to the bidirectional transport phenomenon. Furthermore, these ion clusters will disappear abruptly with the increase in graphene layer distance, and thus the ion transport becomes unidirectional as normal. Our findings shed light on the unusual ion dynamics in two-dimensional channels and provide a potential avenue for the design of novel nanofluidic devices.
中文翻译：
二维石墨烯通道中团簇形成引起的电场中离子的双向传输现象
在水溶液中，已知阳离子和阴离子在电场中反向单向移动。在这项工作中，我们观察到由于二维石墨烯通道中离子簇的形成而在电场中出现异常的双向离子传输现象。一系列分子动力学模拟表明，二维石墨烯通道内的分离离子将在电场下迅速组装成单个簇，这源于限制诱导的有效离子相互作用以及离子的强烈压缩水合壳。值得注意的是，由于离子相互作用与电场之间的竞争，随着电场的增加，离子簇的结构从方形单元模式变为链状，并且簇尺寸表现出最大行为。结果，这些簇中阳离子和阴离子的运动将相互强烈耦合，从而导致双向传输现象。此外，随着石墨烯层距的增加，这些离子簇会突然消失，因此离子传输变为正常的单向传输。我们的研究结果揭示了二维通道中不寻常的离子动力学，并为设计新型纳米流体装置提供了潜在途径。
更新日期：2022-12-14
中文翻译：
二维石墨烯通道中团簇形成引起的电场中离子的双向传输现象
在水溶液中，已知阳离子和阴离子在电场中反向单向移动。在这项工作中，我们观察到由于二维石墨烯通道中离子簇的形成而在电场中出现异常的双向离子传输现象。一系列分子动力学模拟表明，二维石墨烯通道内的分离离子将在电场下迅速组装成单个簇，这源于限制诱导的有效离子相互作用以及离子的强烈压缩水合壳。值得注意的是，由于离子相互作用与电场之间的竞争，随着电场的增加，离子簇的结构从方形单元模式变为链状，并且簇尺寸表现出最大行为。结果，这些簇中阳离子和阴离子的运动将相互强烈耦合，从而导致双向传输现象。此外，随着石墨烯层距的增加，这些离子簇会突然消失，因此离子传输变为正常的单向传输。我们的研究结果揭示了二维通道中不寻常的离子动力学，并为设计新型纳米流体装置提供了潜在途径。
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