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Effects of particle shape and surface roughness on van der Waals interactions and coupling to dynamics in nanocrystals. | LitMetric

Effects of particle shape and surface roughness on van der Waals interactions and coupling to dynamics in nanocrystals.

J Colloid Interface Sci

Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Levich Institute and Department of Chemical Engineering, CUNY City College of New York, New York, New York 10031, United States. Electronic address:

Published: December 2023

AI Article Synopsis

Article Abstract

The van der Waals interaction between colloids and nanoparticles is one of the key components to understanding particle aggregation, attachment, and assembly. While the ubiquity of anisotropic particle shapes and surface roughness is well-recognized in nanocrystalline materials, the effects of both on van der Waals forces and torques have not been adequately investigated. In this study, we develop a numerical scheme to determine the van der Waals forces and torques between cubic particles with multiple configurations and relative orientations. Our results show that the van der Waals torque due to anisotropic particle shapes is appreciable at nearly all configurations and mutual angles, outcompeting Brownian torque for various materials systems and conditions. Surface roughness enhances this particle shape effect, resulting in stronger van der Waals interactions ascribed to protrusions on the surfaces. Moreover, a scaling analysis indicates that the surface roughness alters the separation dependence of the van der Waals force and, more importantly, significantly influences the dynamics of two approaching particles. Our results clearly demonstrate that surface roughness and anisotropic shape play a crucial role in the energetics and kinetics of various particle-scale and emergent phenomena, such as crystal growth by oriented attachment, nanomaterials synthesis and assembly, mud flow rheology, as well as the deposition of natural nanocrystals within the subsurface.

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Source
http://dx.doi.org/10.1016/j.jcis.2023.08.160DOI Listing

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