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.

Download
No fulltext has been uploaded. References only!
Journal Article | Original Article | Published | English

No fulltext has been uploaded

Author
; ; ; ;
Abstract
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.
Publishing Year
ISSN
PUB-ID

Cite this

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): 205421.
J. Schütte, et al., “Cooperative mechanism for anchoring highly polar molecules at an ionic surface”, Physical Review B, vol. 80, 2009, : 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.
This data publication is cited in the following publications:
This publication cites the following data publications:

Export

0 Marked Publications

Open Data PUB

Web of Science

View record in Web of Science®

Search this title in

Google Scholar