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@ARTICLE{Stadtmller:201041,
author = {Stadtmüller, Benjamin and Lüftner, Daniel and
Willenbockel, Martin and Reinisch, Eva M. and Sueyoshi,
Tomoki and Koller, Georg and Subach, Sergey and Ramsey,
Michael G. and Puschnig, Peter and Tautz, Frank Stefan and
Kumpf, Christian},
title = {{U}nexpected interplay of bonding height and energy level
alignment at heteromolecular hybrid interfaces},
journal = {Nature Communications},
volume = {5},
issn = {2041-1723},
address = {London},
publisher = {Nature Publishing Group},
reportid = {FZJ-2015-03351},
pages = {3685},
year = {2014},
abstract = {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 metal–organic interfaces.},
cin = {PGI-3 / JARA-FIT},
ddc = {500},
cid = {I:(DE-Juel1)PGI-3-20110106 / $I:(DE-82)080009_20140620$},
pnm = {422 - Spin-based and quantum information (POF2-422)},
pid = {G:(DE-HGF)POF2-422},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000335222000001},
pubmed = {pmid:24739211},
doi = {10.1038/ncomms4685},
url = {https://juser.fz-juelich.de/record/201041},
}