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Pore structure and function of synthetic nanopores with fixed charges: tip shape and rectification properties

机译：带固定电荷的合成纳米孔的孔结构和功能：尖端形状和整流性能

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摘要

We present a complete theoretical study of the relationship between the structure (tip shape and dimensions) and function (selectivity and rectification) of asymmetric nanopores on the basis of previous experimental studies. The theoretical model uses a continuum approach based on the Nernst-Planck equations. According to our results, the nanopore transport properties, such as current-voltage (I-V) characteristics, conductance, rectification ratio, and selectivity, are dictated mainly by the shape of the pore tip (we have distinguished bullet-like, conical, trumpet-like, and hybrid shapes) and the concentration of pore surface charges. As a consequence, the nanopore performance in practical applications will depend not only on the base and tip openings but also on the pore shape. In particular, we show that the pore opening dimensions estimated from the pore conductance can be very different, depending on the pore shape assumed. The results obtained can also be of practical relevance for the design of nanopores, nanopipettes, and nanoelectrodes, where the electrical interactions between the charges attached to the nanostructure and the mobile charges confined in the reduced volume of the inside solution dictate the device performance in practical applications. Because single tracks are the elementary building blocks for nanoporous membranes, the understanding and control of their individual properties should also be crucial in protein separation, water desalination, and bio-molecule detection using arrays of identical nanopores.
机译：我们在以前的实验研究的基础上，对不对称纳米孔的结构（尖端形状和尺寸）与功能（选择性和整流）之间的关系进行了完整的理论研究。理论模型使用基于Nernst-Planck方程的连续方法。根据我们的结果，纳米孔的传输特性，例如电流-电压（IV）特性，电导率，整流比和选择性，主要取决于孔尖端的形状（我们区分了子弹状，圆锥形，喇叭形，形状和混合形状）和孔表面电荷的浓度。结果，在实际应用中纳米孔的性能将不仅取决于基部和尖端的开口，还取决于孔的形状。特别地，我们表明，根据孔的电导率，根据孔的电导率估算出的开孔尺寸可能会非常不同。获得的结果对于纳米孔，纳米移液器和纳米电极的设计也可能具有实际意义，其中附着在纳米结构上的电荷与限制在内部溶液体积减小的移动电荷之间的电相互作用决定了器件的实际性能。应用程序。因为单条轨道是纳米多孔膜的基本构建基块，所以在使用相同的纳米孔阵列进行蛋白质分离，水脱盐和生物分子检测时，了解和控制其单个属性也至关重要。

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