Pentagonal tiling with buckybowls: pentamethylcorannulene on Cu(111) |
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Authors: | Laura Zoppi Tobias Bauert Jay S Siegel Kim K Baldridge K-H Ernst |
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Institution: | Organic Chemistry Institute, University Zurich, CH-8057 Zürich, Switzerland. karl-heinz.ernst@empa.ch. |
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Abstract: | We present scanning tunnelling microscopy studies and first principles calculation on the 2D crystallization of pentagonal pentamethylcorannulene on a Cu(111) surface under ultrahigh vacuum in the temperature range of 50 K to 400 K. The observed 2D crystal phases and their packing densities are compared to tiling options of hard pentagons. Temperature change-induced reversible phase transitions reveal entropic effects in 2D crystallization. Only inclusion of dispersion interactions into density functional theory yields structures observed experimentally at low temperatures. |
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