Phthalocyanine adsorption to graphene on Ir(111): Evidence for decoupling from vibrational spectroscopy

Journal Article · Thu Nov 13 23:00:00 EST 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4901283· OSTI ID:22415354

Gozdzik, S.; Néel, N.; Rosa, A. L. da ^[1]; Frauenheim, T. ^[1]; Wehling, T. O. ^[1]

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1. Bremen Center for Computational Materials Science, University Bremen, D-28359 Bremen (Germany)

Phthalocyanine molecules have been adsorbed to Ir(111) and to graphene on Ir(111). From a comparison of scanning tunneling microscopy images of individual molecules adsorbed to the different surfaces alone it is difficult to discern potential differences in the molecular adsorption geometry. In contrast, vibrational spectroscopy using inelastic electron scattering unequivocally hints at strong molecule deformations on Ir(111) and at a planar adsorption geometry on graphene. The spectroscopic evidence for the different adsorption configurations is supported by density functional calculations.

• OSTI ID: 22415354
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 18 Vol. 141; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ADSORPTION
DECOUPLING
DEFORMATION
DENSITY FUNCTIONAL METHOD
GRAPHENE
MOLECULES
PHTHALOCYANINES
SCANNING TUNNELING MICROSCOPY
SCATTERING
SPECTROSCOPY
SURFACES