Article ID Journal Published Year Pages File Type
5368421 Applied Surface Science 2007 4 Pages PDF
Abstract

We propose the parameters of the Stillinger-Weber potential for hexagonal boron nitride (BN) structures. For the reliability of these parameters, the structural property of BN fullerenes is investigated. The stability of BN fullerenes increases with increasing the number of atoms, due to the reduction of the curvature effect of BN fullerenes. The structures of the relative stable fullerenes are B16N16, B18N18, B22N22, B25N25, and B28N28.

Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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