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Lookup NU author(s): Professor Steve BullORCiD
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A simple tight-binding model is used to simulate the synthesis of a range of hydrogenated amorphous carbons having differing compositions and formed under differing processing conditions from benzene and ethene molecular precursors. The resultant structures are analyzed and we find both olefinic and delocalized π-bonding systems. In the more dense structures we find highly defected graphitic inclusions crosslinked by fourfold coordinated carbon atoms. In the less dense structures we find chains, weakly attached rings, and large voids. There are both similarities and differences in the structures from different molecular precursors.
Author(s): Godwin PD, Horsfield AP, Stoneham AM, Bull SJ, Ford IJ, Harker AH, Pettifor DG, Sutton AP
Publication type: Article
Publication status: Published
Journal: Physical Review B - Condensed Matter and Materials Physics
Print publication date: 01/12/1996
ISSN (print): 0163-1829
ISSN (electronic): 1550-235X
Publisher: American Physical Society