论文标题
在水溶液中可极化金属纳米颗粒周围的离子结构
Ionic structure around polarizable metal nanoparticles in aqueous electrolytes
论文作者
论文摘要
由于其独特的物理和化学特性，金属纳米颗粒正在受到越来越多的科学关注，这使其适合于各种领域的广泛应用，例如电化学，生物化学和纳米医学。它们的高金属极化性是在各种电解质溶液中定义其静电特征的关键决定因素。在这里，我们介绍了在不同类型的电解质存在下具有明显极化性的金属纳米颗粒的连续模型。我们采用了几种由Monte Carlo模拟证实的几种复杂的理论方法，以阐明该模型的基本静电原理。我们研究了离子之间的不同种类的不对称现象是如何导致非平凡现象的，例如电荷分离和所谓的零表面荷利双层的堆积。
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.
