Functionalized nanofluidics devices have recently emerged as a powerful platform for applications of energy conversion. Inspired by biological cells, we theoretically studied the effect of the interaction between the nanoparticle and the plate which formed the brush layer modified by functional zwitterionic polyelectrolyte (PE) on the bulk charge density of the nanoparticle brush layer, and the charge/discharge effect when the distance between the particle and the plate was changed. In this paper, The Poisson–Nernst–Planck equation system is used to build the theoretical model to study the interaction between the nanoparticle and the plate modified by the PE brush layer, considering brush layer charge regulation in the presence of multiple ionic species. The results show that the bulk charge density of the brush layer decreases with the decrease of the distance between the nanoparticle and the flat substrate when the interaction occurs between the nanoparticle and the plate. When the distance between the particle and the plate is about 2 nm, the charge density of the brush layer at the bottom of the particle is about 69% of that at the top, and the electric field energy density reaches the maximum value when the concentration of the background salt solution is 10 mm.

中文翻译：

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官能团修饰纳米粒子与平面基底相互作用的电荷特性和电场能量密度


功能化纳米流体设备最近已成为能量转换应用的强大平台。受生物细胞的启发，我们从理论上研究了纳米颗粒与功能性两性离子聚电解质（PE）改性的刷层的极板之间的相互作用对纳米颗粒刷层体电荷密度的影响，以及当颗粒和板之间的距离发生了变化。本文采用Poisson-Nernst-Planck方程组建立理论模型，研究纳米颗粒与PE刷层修饰的板之间的相互作用，考虑多种离子物种存在下刷层的电荷调节。结果表明，当纳米粒子与板之间发生相互作用时，刷层的体电荷密度随着纳米粒子与平坦基底之间的距离的减小而减小。当颗粒与极板的距离约为2 nm时，颗粒底部刷层的电荷密度约为顶部的69%，电场能量密度在浓度达到最大值时达到最大值。背景盐溶液的深度为 10 mm。