Research Group for Simulations of Energy Materials, Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, D-14109 Berlin, Germany.
Soft Matter. 2018 May 23;14(20):4053-4063. doi: 10.1039/c8sm00399h.
Metal nanoparticles are receiving increased scientific attention owing to their unique physical and chemical properties that make them suitable for a wide range of applications in diverse fields, such as electrochemistry, biochemistry, and nanomedicine. Their high metallic polarizability is a crucial determinant that defines their electrostatic character in various electrolyte solutions. Here, we introduce a continuum-based model of a metal nanoparticle with explicit polarizability in the presence of different kinds of electrolytes. We employ several, variously sophisticated, theoretical approaches, corroborated by Monte Carlo simulations in order to elucidate the basic electrostatics principles of the model. We investigate how different kinds of asymmetries between the ions result in non-trivial phenomena, such as charge separation and a build-up of a so-called zero surface-charge double layer.
金属纳米粒子因其独特的物理和化学性质而受到越来越多的科学关注,这些性质使它们适用于电化学、生物化学和纳米医学等多个领域的广泛应用。它们的高金属极化率是决定它们在各种电解质溶液中静电特性的关键因素。在这里,我们引入了一个带有明确极化率的金属纳米粒子的连续体模型,该模型存在于不同种类的电解质中。我们采用了几种不同的、复杂程度不同的理论方法,并结合蒙特卡罗模拟,以阐明模型的基本静电原理。我们研究了不同种类的离子之间的不对称性如何导致非平凡的现象,如电荷分离和所谓的零表面电荷双电层的形成。