Cooperative mechanism for anchoring highly polar molecules at an ionic surface

Schütte J, Bechstein R, Rohlfing M, Reichling M, Kühnle A (2009)
Physical Review B 80(20): 205421.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
Structure formation of the highly polar molecule cytosine on the (111) 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 the molecules can form trimers in a configuration allowing all molecules to attain their optimum adsorption position on the substrate. As the trimer geometry facilitates hydrogen bonding between the molecules within the trimer, we conclude that the stabilization of individual diffusing molecules into stable trimers is due to a cooperative mechanism involving polar interactions between molecules and substrate as well as hydrogen bonding between molecules.
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Zeitschriftentitel
Physical Review B
Band
80
Zeitschriftennummer
20
Seite
205421
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Schütte J, Bechstein R, Rohlfing M, Reichling M, Kühnle A. Cooperative mechanism for anchoring highly polar molecules at an ionic surface. Physical Review B. 2009;80(20):205421.
Schütte, J., Bechstein, R., Rohlfing, M., Reichling, M., & Kühnle, A. (2009). Cooperative mechanism for anchoring highly polar molecules at an ionic surface. Physical Review B, 80(20), 205421. doi:10.1103/PhysRevB.80.205421
Schütte, J., Bechstein, R., Rohlfing, M., Reichling, M., and Kühnle, A. (2009). Cooperative mechanism for anchoring highly polar molecules at an ionic surface. Physical Review B 80, 205421.
Schütte, J., et al., 2009. Cooperative mechanism for anchoring highly polar molecules at an ionic surface. Physical Review B, 80(20), p 205421.
J. Schütte, et al., “Cooperative mechanism for anchoring highly polar molecules at an ionic surface”, Physical Review B, vol. 80, 2009, pp. 205421.
Schütte, J., Bechstein, R., Rohlfing, M., Reichling, M., Kühnle, A.: Cooperative mechanism for anchoring highly polar molecules at an ionic surface. Physical Review B. 80, 205421 (2009).
Schütte, Jens, Bechstein, Ralf, Rohlfing, Michael, Reichling, Michael, and Kühnle, Angelika. “Cooperative mechanism for anchoring highly polar molecules at an ionic surface”. Physical Review B 80.20 (2009): 205421.
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2018-08-31T13:34:08Z