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@ARTICLE{Wei:837319,
author = {Weiß, Simon and Krieger, Ina and Heepenstrick, Timo and
Soubatch, Serguei and Sokolowski, Moritz and Tautz, F. S.},
title = {{D}etermination of the adsorption geometry of {PTCDA} on
the {C}u(100) surface},
journal = {Physical review / B},
volume = {96},
number = {7},
issn = {2469-9950},
address = {Woodbury, NY},
publisher = {Inst.},
reportid = {FZJ-2017-06284},
pages = {075414},
year = {2017},
abstract = {The adsorption geometry, namely the height and the site, of
3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) on the
Cu(100) surface was determined by the normal incidence x-ray
standing wave (NIXSW) technique including triangulation. The
two PTCDA molecules in the superstructure unit cell, which
have perpendicular azimuthal orientation, are both located
at bridge sites, the long molecular axis being parallel to
the bridge. Carboxylic oxygen atoms and several atoms of the
carbon backbone are located close to on-top positions. The
vertical distortion motif of PTCDA on Cu(100) differs from
that on the three low-index Ag surfaces, because significant
downward displacement of the carboxylic oxygen atoms is
lacking. In particular, the carbon backbone of PTCDA adsorbs
closer to the surface than extrapolated from Ag data. This
suggests a relative increase of the attractive interactions
between the carbon backbone of PTCDA and the Cu(100) surface
versus the attractive interactions on the carboxylic oxygen
atoms.},
cin = {PGI-3},
ddc = {530},
cid = {I:(DE-Juel1)PGI-3-20110106},
pnm = {143 - Controlling Configuration-Based Phenomena (POF3-143)},
pid = {G:(DE-HGF)POF3-143},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000407319300004},
doi = {10.1103/PhysRevB.96.075414},
url = {https://juser.fz-juelich.de/record/837319},
}