Electrical double layer properties of spherical oxide nanoparticles.
Electrical double layer properties of spherical oxide nanoparticles.
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DOI：
10.1039/c6cp08174f
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发表时间：
2017-02-15
期刊：
影响因子：
--
通讯作者：
Marucho M
中科院分区：
文献类型：
--
作者：
Hunley C;Marucho M
纳米粒子的双电层特性的准确表征对于优化其物理化学性质以用于特定的生物技术和生物医学应用具有根本的重要性。在这篇文章中，我们使用经典的溶剂化密度泛函理论和表面络合模型来研究pH值和纳米颗粒尺寸对包围球形二氧化硅纳米颗粒的电解质溶液的结构和静电性质的影响。该制剂特别适用于确定在各种pH水平和纳米颗粒尺寸下支配离子驱动力的主导相互作用。作为一个结果，显示之间的静电势，离子-离子相关性和粒子拥挤效应的纳米粒子表面滴定，丰富的，非平凡的离子密度分布和平均静电势行为之间的相互作用已被发现。
The accurate characterization of electrical double layer properties of nanoparticles is of fundamental importance for optimizing their physicochemical properties for specific biotechnological and biomedical applications. In this article, we use classical solvation density functional theory and a surface complexation model to investigate the effects of pH and nanoparticle size on the structural and electrostatic properties of an electrolyte solution surrounding a spherical silica oxide nanoparticle. The formulation has been particularly useful for identifying dominant interactions governing the ionic driving force under a variety of pH levels and nanoparticle sizes. As a result of the energetic interplay displayed between electrostatic potential, ion-ion correlation and particle crowding effects on the nanoparticle surface titration, rich, non-trivial ion density profiles and mean electrostatic potential behavior have been found.