Journal Article

FZJ-2014-03149

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Energy offsets within a molecular monolayer: the influence of the molecular environment

Willenbockel, M. (Corresponding Author)FZJ* ; Stadtmüller, B.FZJ* ; Schönauer, K.FZJ* ; Posseik, F.FZJ* ; Lüftner, D. ; Reinisch, E. M. ; Ules, T. ; Koller, G. ; Kumpf, C.FZJ* ; Subach, S.FZJ* ; Puschnig, P. ; Ramsey, M. G. ; Tautz, F. S.FZJ*

2013
Dt. Physikalische Ges. [Bad Honnef]

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Please use a persistent id in citations: http://hdl.handle.net/2128/6747  doi:10.1088/1367-2630/15/3/033017

Abstract: The compressed 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) herringbone monolayer structure on Ag(110) is used as a model system to investigate the role of molecule–molecule interactions at metal–organic interfaces. By means of the orbital tomography technique, we can not only distinguish the two inequivalent molecules in the unit cell but also resolve their different energy positions for the highest occupied and the lowest unoccupied molecular orbitals. Density functional theory calculations of a freestanding PTCDA layer identify the electrostatic interaction between neighboring molecules, rather than the adsorption site, as the main reason for the molecular level splitting observed experimentally.

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Contributing Institute(s):

1. Quantum Nanoscience (PGI-3)
2. JARA-FIT (JARA-FIT)

Research Program(s):

1. 422 - Spin-based and quantum information (POF2-422) (POF2-422)

Appears in the scientific report 2014

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Database coverage:
; ; ; ; Current Contents - Social and Behavioral Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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