In this work, we use molecular dynamics simulations to study the transport of ions in electromechanical flows in slit-like graphene nanochannels. The variation of ionic currents indicates a nonlinear coupling between pressure-driven and electroosmotic flows, which enhances the ionic currents for electromechanical flows compared with the linear superposition of pressure-driven and electroosmotic flows. The nonlinear coupling is attributed to the reduction of the total potential energy barrier due to the density variations of ions and water molecules in the channel. The numerical results may offer molecular insights into the design of nanofluidic devices for energy conversion.

中文翻译：

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石墨烯纳米通道中机电离子传输中的耦合效应

在这项工作中，我们使用分子动力学模拟来研究离子在狭缝状石墨烯纳米通道中的机电流中的传输。离子电流的变化表明压力驱动和电渗流之间存在非线性耦合，与压力驱动和电渗流的线性叠加相比，离子流增加了机电流的离子流。非线性耦合归因于由于通道中离子和水分子的密度变化而导致的总势能垒的减少。数值结果可以为能量转换纳米流体装置的设计提供分子见解。