Lateral adsorption geometry and site-specific electronic structure of a large organic chemisorbate on a metal surface

Autor(en): Kraft, A.
Temirov, R.
Henze, S. K. M.
Soubatch, S.
Rohlfing, M.
Tautz, F. S.
Stichwörter: FILMS; MANIPULATION; Materials Science; Materials Science, Multidisciplinary; Physics; Physics, Applied; Physics, Condensed Matter; PTCDA; RESOLUTION
Erscheinungsdatum: 2006
Herausgeber: AMER PHYSICAL SOC
Journal: PHYSICAL REVIEW B
Volumen: 74
Ausgabe: 4
Zusammenfassung: 
A combined study of scanning tunneling microscopy (STM) and density functional theory (DFT) reveals that 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) adsorbs on Ag(111) at bridge sites in two nonequivalent orientations, one nearly aligned with the [10 (1) over bar] substrate axis and the other 18 degrees misaligned. Site-specific spectroscopy reveals that molecules in the two configurations exhibit subtle differences in their electronic structure. DFT-based STM simulations trace these back to the influence of distinct local adsorption geometries on the chemical molecule-substrate and molecule-molecule interactions.
ISSN: 24699950
DOI: 10.1103/PhysRevB.74.041402

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