Surface Geometry of C 60 on Ag(111)
2009; American Physical Society; Volume: 103; Issue: 5 Linguagem: Inglês
10.1103/physrevlett.103.056101
ISSN1092-0145
AutoresH. I. Li, K. Pussi, Kelly Hanna, L.-L. Wang, D. D. Johnson, Hai‐Ping Cheng, H. Shin, Stefano Curtarolo, W. Moritz, J. A. Smerdon, R. McGrath, Renee D. Diehl,
Tópico(s)Advanced Chemical Physics Studies
ResumoThe geometry of adsorbed ${\mathrm{C}}_{60}$ influences its collective properties. We report the first dynamical low-energy electron diffraction study to determine the geometry of a ${\mathrm{C}}_{60}$ monolayer, $\mathrm{Ag}(111)\mathrm{\text{\ensuremath{-}}}(2\sqrt{3}\ifmmode\times\else\texttimes\fi{}2\sqrt{3})30\ifmmode^\circ\else\textdegree\fi{}\mathrm{\text{\ensuremath{-}}}{\mathrm{C}}_{60}$, and related density functional theory calculations. The stable monolayer has ${\mathrm{C}}_{60}$ molecules in vacancies that result from the displacement of surface atoms. ${\mathrm{C}}_{60}$ 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 ${\mathrm{C}}_{60}$ monolayers on close-packed metal surfaces.
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