CUED Publications database

Surface atomic properties of tetrahedral amorphous carbon

Chen, CW and Robertson, J (2006) Surface atomic properties of tetrahedral amorphous carbon. Diamond and Related Materials, 15. pp. 936-938. ISSN 0925-9635

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Abstract

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 sp2 sites often bonded in graphitic rings. Placing the dangling bonds on adjacent surface atoms lower their energy by π-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. © 2005 Elsevier B.V. All rights reserved.

Item Type: Article
Uncontrolled Keywords: Calculations Diamond-like carbon Electronic structure Surface
Subjects: UNSPECIFIED
Divisions: Div B > Solid State Electronics and Nanoscale Science
Depositing User: Cron Job
Date Deposited: 07 Mar 2014 11:21
Last Modified: 08 Dec 2014 02:24
DOI: 10.1016/j.diamond.2005.10.054