2009
DOI: 10.1103/physrevb.80.205421
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Cooperative mechanism for anchoring highly polar molecules at an ionic surface

Abstract: Structure formation of the highly polar molecule cytosine on the ͑111͒ cleavage plane of calcium fluoride is investigated in ultrahigh vacuum using noncontact atomic force microscopy at room temperature. Molecules form well-defined trimer structures, covering the surface as homogeneously distributed stable structures. Density-functional theory calculations yield a diffusion barrier of about 0.5 eV for individual molecules suggesting that they are mobile at room temperature. Furthermore, it is predicted that th… Show more

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Cited by 31 publications
(31 citation statements)
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“…This configuration results in a total adsorption energy of nearly −0.9 eV, which is about 0.8 eV higher than the optimal adsorption energy. The resulting energy barrier is very close to the thermal energy of a single molecule at room temperature [36]. However, we do not observe any spontaneous switching of the molecules, indicating that spontaneous switching is not possible.…”
Section: Resultssupporting
confidence: 60%
“…This configuration results in a total adsorption energy of nearly −0.9 eV, which is about 0.8 eV higher than the optimal adsorption energy. The resulting energy barrier is very close to the thermal energy of a single molecule at room temperature [36]. However, we do not observe any spontaneous switching of the molecules, indicating that spontaneous switching is not possible.…”
Section: Resultssupporting
confidence: 60%
“…One possibility to overcome this barrier is the use of a specific end group which induces an adequate directed dipole moment within the molecule [26,30]. Moreover, high resolution measurements of molecules on insulating surfaces were scarce due to a lack of suitable imaging techniques.…”
Section: Introductionmentioning
confidence: 99%
“…This strategy has successfully been applied for identifying a molecule suitable for molecular self-assembly on CaF 2 (111) [82], namely cytosine. This molecule provides a high dipole moment with the local charges being separated by a distance that corresponds to the distance of a pair of oppositely charged ions in the surface.…”
Section: Increasing the Molecule-surface Interactionmentioning
confidence: 98%
“…Prominent insulating support materials for molecular assemblies are stable cleavage planes of alkali halides [48,, such as KBr(001), NaCl(001), KCl(001) or RbCl(001), the (111) cleavage plane of the fluoride CaF 2 [53,[82][83][84][85], oxide surfaces such as MgO(001) or Al 2 O 3 (001) [55] as well as diamond and mica [86] surfaces. Recently, the calcite(104) surface [49,[87][88][89][90][91][92][93][94][95][96][97][98] has gained increasing attention for reasons discussed later.…”
Section: Special Situation On Insulator Surfacesmentioning
confidence: 99%