Orientational Ordering of Nonplanar Phthalocyanines on Cu(111): Strength and Orientation of the Electric Dipole Moment

Details Orientational Ordering of Nonplanar Phthalocyanines on Cu(111): Strength and Orientation of the Electric Dipole Moment Orientational Ordering of Nonplanar Phthalocyanines on Cu(111): Strength and Orientation of the Electric Dipole Moment

2011-04-11

arxiv.org/abs/1104.2065v1

Phys. Rev. Lett. 106, 156102 (2011)

Physics

Condensed Matter

Materials Science

4 pages, 4 figures, accepted for publication in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.106.156102

In order to investigate the orientational ordering of molecular dipoles and the associated electronic properties, we studied the adsorption of chlorogallium phthalocyanine molecules (GaClPc, Pc=C_32N_8H_16) on Cu(111) using the X-ray standing wave technique, photoelectron spectroscopy, and quantum chemical calculations. We find that for sub-monolayer coverages on Cu(111) the majority of GaClPc molecules adsorb in a 'Cl-down' configuration by forming a covalent bond to the substrate. For bilayer coverages the XSW data indicate a co-existence of the 'Cl-down' and 'Cl-up' configuration on the substrate. The structural details established for both cases and supplementary calculations of the adsorbate system allow us to analyze the observed change of the work function.

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