Li, H.I.; Pussi, K.; Hanna, K.J.; Wang, L.-L.; Johnson, D. D.; Cheng, H.-P.; Shin, Heekeun; Curtarolo, S.; Moritz, Wolfgang; Smerdon, Joseph; McGrath, Ronan; Diehl, R. D.
Surface Geometry of C60 on Ag(111).
In: Physical Review Letters, Vol. 103, No. 5
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The geometry of adsorbed C60 influences its collective properties. We report the first dynamical low-energy electron diffraction study to determine the geometry of a C60 monolayer, Ag(111)-(23×23)30°-C60, and related density functional theory calculations. The stable monolayer has C60 molecules in vacancies that result from the displacement of surface atoms. C60 bonds with hexagons down, with their mirror planes parallel to that of the substrate. The results indicate that vacancy structures are the rule rather than the exception for C60 monolayers on close-packed metal surfaces.