Lookup NU author(s): Dr Jon Goss,
Professor Patrick Briddon
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Ab initio density-functional-theory has been used to investigate transfer doping between C60 monolayers and the hydrogenated (100) diamond surface. An electron transfer from diamond to C60 is predicted for a C60 coverage of around one monolayer, and the possibility of electron transfer is expected to increase for higher coverages, leading to an accumulation of holes at the diamond surface. It has been found that the greater electron affinity of fluorinated C60 is likely to enhance the effect. Results are reported on the structural and electronic properties of isolated C60 and C60F36 molecules, solid C 60, and a monolayer of each material adjacent to the (100)-(2 × 1):H diamond surface.
Author(s): Sque SJ, Jones R, Goss JP, Briddon PR, Oberg S
Publication type: Article
Publication status: Published
Journal: Journal of Physics: Condensed Matter
ISSN (print): 0953-8984
ISSN (electronic): 1361-648X
Publisher: Institute of Physics Publishing Ltd.
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