Adsorption configuration effects on the surface diffusion of large organic molecules: The case of Violet Lander

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  • Interdisciplinary Nanoscience Center
  • Department of Physics and Astronomy
Violet Lander (C108H104) is a large organic molecule that when deposited on Cu(110) surface exhibits lock-and-key like behavior [Otero et al., Nature Mater. 3, 779 (2004)]. In this work, we report a detailed fully atomistic molecular mechanics and molecular dynamics study of this phenomenon. Our results show that it has its physical basis on the interplay of the molecular hydrogens and the Cu(110) atomic spacing, which is a direct consequence of the matching between molecule and surface dimensions. This information could be used to find new molecules capable of displaying lock-and-key behavior with new potential applications in nanotechnology.
Original languageEnglish
JournalJournal of Chemical Physics
Pages (from-to)224702
Number of pages6
Publication statusPublished - 14 Dec 2010

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