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Titel
Unexpected interplay of bonding height and energy level alignment at heteromolecular hybrid interfaces
Verfasser/ VerfasserinStadtmüller, Benjamin In der Gemeinsamen Normdatei der DNB nachschlagen ; Lüftner, Daniel ; Willenbockel, Martin ; Reinisch, Eva-Mari ; Sueyoshi, Tomoki ; Koller, Georg ; Soubatch, Sergey ; Ramsey, Michael ; Puschnig, Peter ; Tautz, F. Stefan ; Kumpf, Christian
Erschienen in
Nature Communications, London, 2014, Jg. 5, H. Article ID 3685
ErschienenNature Publishing Group, 2014
SpracheEnglisch
DokumenttypAufsatz in einer Zeitschrift
Schlagwörter (EN)Chemical sciences / Physical chemistry / Condensed matter / Nanotechnology
ISSN2041-1723
URNurn:nbn:at:at-ubg:3-2353 Persistent Identifier (URN)
DOIdoi:10.1038/ncomms4685 
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Unexpected interplay of bonding height and energy level alignment at heteromolecular hybrid interfaces [1.23 mb]
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Zusammenfassung (Englisch)

Although geometric and electronic properties of any physical or chemical system are always mutually coupled by the rules of quantum mechanics, counterintuitive coincidences between the two are sometimes observed. The coadsorption of the organic molecules 3,4,9,10-perylene tetracarboxylic dianhydride and copper-II-phthalocyanine on Ag(111) represents such a case, since geometric and electronic structures appear to be decoupled: one molecule moves away from the substrate while its electronic structure indicates a stronger chemical interaction, and vice versa for the other. Our comprehensive experimental and ab-initio theoretical study reveals that, mediated by the metal surface, both species mutually amplify their charge-donating and -accepting characters, respectively. This resolves the apparent paradox, and demonstrates with exceptional clarity how geometric and electronic bonding parameters are intertwined at metalorganic interfaces.

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