Article ID Journal Published Year Pages File Type
5384638 Chemical Physics Letters 2011 4 Pages PDF
Abstract
► The rapid diffusion in nanoparticles were reproduced by MD simulations. ► The atomistic diffusion mechanism in a metal cluster is Surface Peeling Mechanism. ► In contrast, the diffusion mechanism in an alkali halide cluster is Vacancy Mechanism. ► The vacancy formation energy of metal clusters increases as their size decreases, while that of alkali halides decreases. ► This opposite trend is a reason for the onset of the totally different mechanisms.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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