Publications [#261043] of Stefano Curtarolo

Papers Published
  1. Li, HI; Pussi, K; Hanna, KJ; Wang, L-L; Johnson, DD; Cheng, H-P; Shin, H; Curtarolo, S; Moritz, W; Smerdon, JA; McGrath, R; Diehl, RD, Surface geometry of C(60) on Ag(111)., Physical Review Letters, vol. 103 no. 5 (July, 2009), pp. 056101 [19792515], [doi] .

    Abstract:
    The geometry of adsorbed C(60) influences its collective properties. We report the first dynamical low-energy electron diffraction study to determine the geometry of a C(60) monolayer, Ag(111)-(2 square root of 3 x 2 square root of 3) 30 degrees -C(60), and related density functional theory calculations. The stable monolayer has C(60) molecules in vacancies that result from the displacement of surface atoms. C(60) 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 C(60) monolayers on close-packed metal surfaces.