Article ID Journal Published Year Pages File Type
5422720 Surface Science 2013 6 Pages PDF
Abstract
► We investigate by molecular dynamics the changes induced by a surface in atomic diffusion in lithium oxide. ► Our results are analyzed plane by plane in the direction perpendicular to the {111} surface. ► The equality of the interstitial and vacancy atomic-fractions found in the bulk is not verified in the topmost two planes. ► The highest lithium jump-frequency is not obtained in the terminal plane but in the following one.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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