LDF CALCULATIONS OF POINT DEFECTS IN GRAPHITES AND FULLERENES (2008)
Malcolm Heggie, B. R. Eggen, C. P. Ewels, P. Leary, S. Ali, G. Jungnickel, ...
Using a spin density functional code (AIMPRO) we have examined the properties of interstitials and adatoms on graphite (modelled as one, two or three layers of a polyaromatic hydrocarbon C62H20) and...