Domain Segregation in Ionic Liquids Induces Long-Range Oscillatory Forces between Nanoparticles and Surfaces

IF 6.3 Q2 NANOSCIENCE & NANOTECHNOLOGY

ACS Nanoscience Au Pub Date : 2025-05-08 DOI:10.1021/acsnanoscienceau.5c00003

Lívia Oliveira Xavier Silva, and , Kalil Bernardino*,

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引用次数: 0

Abstract

Ionic liquids have aroused great interest as solvents for the synthesis and stabilization of nanomaterials. The segregation between polar and apolar domains in ionic liquids with long alkyl groups provides kinetic stability for nanoparticle dispersions by rendering multiple free energy barriers for the aggregation. Similar effects also modulate the adsorption of nanoparticles over both liquid–vapor and liquid/solid interfaces. In this work, molecular dynamics simulations were performed to compute the potential of the mean force for the adsorption of spherical nanoparticles over solid substrates through films of imidazolium-based ionic liquids with different alkyl group lengths. While liquids with small alkyl groups produce simple profiles with barriers only close to the substrate, complex oscillatory forces arise between the nanoparticle and the substrate for ionic liquids with significant domain segregation. In addition, long-range solvent-mediated repulsive forces were also noted for liquids with an alkyl group long enough to display a smectic liquid crystal phase.

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离子液体中的畴偏析诱导纳米粒子和表面之间的长程振荡力

离子液体作为纳米材料合成和稳定的溶剂引起了人们的极大兴趣。在长烷基离子液体中，极性和极性结构域之间的分离通过为聚集提供多个自由能垒，为纳米颗粒的分散提供了动力学稳定性。类似的效应也调节了纳米颗粒在液-汽和液/固界面上的吸附。在这项工作中，进行了分子动力学模拟，以计算球形纳米颗粒通过具有不同烷基长度的咪唑基离子液体膜在固体基质上吸附的平均力势。具有小烷基基团的液体仅在靠近底物的地方产生简单的障壁，而具有明显畴偏析的离子液体在纳米颗粒和底物之间产生复杂的振荡力。此外，对于具有足够长的烷基以显示近晶液晶相的液体，也注意到长距离溶剂介导的排斥力。

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来源期刊

ACS Nanoscience Au 材料科学、纳米科学-

CiteScore

4.20

自引率

0.00%

发文量

期刊介绍： ACS Nanoscience Au is an open access journal that publishes original fundamental and applied research on nanoscience and nanotechnology research at the interfaces of chemistry biology medicine materials science physics and engineering.The journal publishes short letters comprehensive articles reviews and perspectives on all aspects of nanoscience and nanotechnology:synthesis assembly characterization theory modeling and simulation of nanostructures nanomaterials and nanoscale devicesdesign fabrication and applications of organic inorganic polymer hybrid and biological nanostructuresexperimental and theoretical studies of nanoscale chemical physical and biological phenomenamethods and tools for nanoscience and nanotechnologyself- and directed-assemblyzero- one- and two-dimensional materialsnanostructures and nano-engineered devices with advanced performancenanobiotechnologynanomedicine and nanotoxicologyACS Nanoscience Au also publishes original experimental and theoretical research of an applied nature that integrates knowledge in the areas of materials engineering physics bioscience and chemistry into important applications of nanomaterials.