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Lookup NU author(s): Professor Patrick Briddon
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A monolayer of buckminsterfullerene (C60 has been modelled on hydrogenated, hydroxylated (OH-terminated), and oxygenated diamond surfaces using abinitio, density-functional-theory calculations, with a view to assessing the likelihood of transfer doping in each case. The C60 layer is predicted to spontaneously extract electrons from the hydrogenated surface, although on the hydroxylated surface there is an energy gap of ∼1 eV preventing a similar electron transfer. With the fully oxygenated surface, there is a gap to electron transfer of ∼4 eV, effectively prohibiting the transfer-doping effect. In each case, the molecule causes only very little disturbance to the substrate, although chemical reaction remains a significant possibility. © Springer Science + Business Media, LLC 2006.
Author(s): Sque SJ, Jones R, Oberg S, Briddon PR
Publication type: Article
Publication status: Published
Journal: Journal of Materials Science: Materials in Electronics
ISSN (print): 0957-4522
ISSN (electronic): 1573-482X
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