The surface diffusivity of nanoparticles physically adsorbed at a solid- liquid interface

T Singletary and N Iranmanesh and CE Colosqui, SOFT MATTER, 20, 8446-8454 (2024).

DOI: 10.1039/d4sm00992d

This work proposes an analytical model considering the effects of hydrodynamic drag and kinetic barriers induced by liquid solvation forces to predict the translational diffusivity of a nanoparticle on an adsorbing surface. Small nanoparticles physically adsorbed to a well- wetted surface can retain significant in-plane mobility through thermally activated stick-slip motion, which can result in surface diffusivities comparable to the bulk diffusivity due to free-space Brownian motion. Theoretical analysis and molecular dynamics simulations in this work show that the surface diffusivity is enhanced when (i) the Hamaker constant is smaller than a critical value prescribed by the interfacial surface energy and particle dimensions, and (ii) the nanoparticle is adsorbed at specific metastable separations of molecular dimensions away from the wall. Understanding and controlling this phenomenon can have significant implications for technical applications involving mass, charge, or energy transport by nanomaterials dispersed in liquids under micro/nanoscale confinement, such as membrane-based separation and ultrafiltration, surface electrochemistry and catalysis, and interfacial self-assembly. This work proposes an analytical model considering the effects of hydrodynamic drag and energy barriers induced by liquid solvation forces to predict the in-plane translational diffusivity of a nanoparticle physically adsorbed on a wetted surface.

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