Li Shuang, Zhang Xinke, Su Jiaye
MIIT Key Laboratory of Semiconductor Microstructure and Quantum Sensing and Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094, China.
Langmuir. 2024 Mar 12;40(10):5488-5498. doi: 10.1021/acs.langmuir.4c00021. Epub 2024 Feb 29.
Improving the ionic rectification in nanochannels enables versatile applications such as biosensors, energy harvesting, and fluidic diodes. While previous work mostly focused on the effect of channel geometry and surface charge, in this work via a series of molecular dynamics simulations, we find a striking phenomenon that the ionic current rectification (ICR) ratio in Janus graphene oxide (GO) channels can be tremendously promoted by lateral electric fields. First, under a given axial electric field, an additional lateral electric field can improve the ICR ratio by several times to an order, depending on the channel symmetry. The symmetric channel has an obviously greater ICR ratio because it maintains a more pronounced ion transport disparity at opposite axial fields. The underlying mechanism for the function of the lateral electric field is that it promotes the lateral migration of ions and thus amplifies the ion-residue electrostatic interaction at opposite axial fields, enlarging the ion dynamical difference. Furthermore, for different axial electric fields, the ICR ratio can always be improved by lateral electric fields (up to two orders), suggesting that the ICR improvement is universal. Our results demonstrate that applying a lateral electric field could be a new method to improve the rectification performance of nanochannels, providing valuable guidance for the design of efficient ionic diode devices.
提高纳米通道中的离子整流性能可实现多种应用,如生物传感器、能量收集和流体二极管。虽然先前的工作主要集中在通道几何形状和表面电荷的影响上,但在这项工作中,通过一系列分子动力学模拟,我们发现了一个惊人的现象:侧向电场可以极大地提高Janus氧化石墨烯(GO)通道中的离子电流整流(ICR)比率。首先,在给定的轴向电场下,根据通道对称性,额外的侧向电场可以将ICR比率提高几倍到一个数量级。对称通道具有明显更大的ICR比率,因为它在相反的轴向电场下保持更明显的离子输运差异。侧向电场起作用的潜在机制是它促进了离子的横向迁移,从而放大了在相反轴向电场下的离子-残基静电相互作用,扩大了离子动力学差异。此外,对于不同的轴向电场,侧向电场总能提高ICR比率(高达两个数量级),这表明ICR的提高具有普遍性。我们的结果表明,施加侧向电场可能是提高纳米通道整流性能的一种新方法,为高效离子二极管器件的设计提供了有价值的指导。