Surface atomic properties of tetrahedral amorphous carbon

被引：16

作者：

Chen, C. W.

Robertson, J. ^{[1
]}

机构：

[1] Natl Taiwan Univ, Dept Mat Sci & Engn, Taipei, Taiwan

[2] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England

来源：

DIAMOND AND RELATED MATERIALS | 2006年 / 15卷 / 4-8期

关键词：

diamond-like carbon; surface; electronic structure; calculations;

D O I：

10.1016/j.diamond.2005.10.054

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The surface energy and surface atomic structure of tetrahedral amorphous carbon has been calculated by an ab-initio method. The surface atoms are found to reconstruct into sp(2) sites often bonded in graphitic rings. Placing the dangling bonds on adjacent surface atoms lower their energy by pi-bonding and this is the source of the low surface energy. The even lower surface energy of hydrogenated amorphous carbon (a-C:H) is due to the hydrogenation of all broken surface bonds. (c) 2005 Elsevier B.V All rights.

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页码：936 / 938

页数：3

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