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Nanoscience and Nanotechnology

Selected Works

2019

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Full-Text Articles in Physics

Complex Oscillatory Decrease With Size In Diffusivity Of {100}-Epitaxially Supported 3d Fcc Metal Nanoclusters, King C. Lai, James W. Evans Oct 2019

Complex Oscillatory Decrease With Size In Diffusivity Of {100}-Epitaxially Supported 3d Fcc Metal Nanoclusters, King C. Lai, James W. Evans

James W. Evans

Diffusion and coalescence of supported 3D metal nanoclusters (NCs) leads to Smoluchowski Ripening (SR), a key pathway for catalyst degradation. Variation of the NC diffusion coefficient, DN, with size N (in atoms) controls SR kinetics. Traditionally, a form DN ∼ N−β was assumed consistent with mean-field analysis. However, KMC simulation of a stochastic model for diffusion of {100}-epitaxially supported fcc NCs mediated by surface diffusion reveals instead a complex oscillatory decrease of DN with N. Barriers for surface diffusion of metal atoms across and between facets, along step edges, etc., in this model are selected to accurately capture behavior ...