SimRUC
Surface & Interface Modeling
for Emerging Nanomaterials and Devices

Structural evolution of pentacene on an Ag(110) surface

Y. L. Wang,1,2 W. Ji,1 D. X. Shi,1,2 S. X. Du,1 C. Seidel,2,3 Y. G. Ma,4 H.-J. Gao,1, L. F. Chi,2, and H. Fuchs2

1Nanoscale Physics and Devices Laboratory, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, 100080 Beijing, China

2Physikalisches Institut, Universitat Munster, Wilhelm-Klemm-straße 10, D-48149 Munster, Germany
3Kentax UHV equipment, Riesengebirgsweg 13, D-30926 Seelze, Germany
4College of Chemistry, Jilin University, 130026 Changchun, China

DOI:10.1103/PhysRevB.69.075408    Publication Date: 17 Feb 2004


Abstract:

Structural evolution of pentacene thin films on Ag(110) crystal, during molecular deposition and during a subsequent change of substrate temperature, was investigated in situ by a molecular beam epitaxy low-energy electron diffraction technique. The pentacene molecules exhibit high mobility on the Ag~110! surface at room temperature and the adsorbate shows a structural evolution from disorder in the submonolayer to an ordered structure when it reaches one monolayer. Heating the substrate to 145 °C results in no further structural transition. The ordered monolayer structure on Ag(110) has two domains mirrored at the crystal axis of the silver substrate. Molecular mechanics calculations indicate that the pentacene molecules lie flat on the  surface, which is in good agreement with the experimental results. The calculation also gives the favorable position; i.e., the orientation of pentacene on the Ag(110).


Keywords:


View: Phys. Rev. B  69, 075408 (2004)     Local Copy

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