Adsorption of PTCDA on Ge(001)
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F17%3A10371317" target="_blank" >RIV/00216208:11320/17:10371317 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/acs.jpcc.6b09793" target="_blank" >http://dx.doi.org/10.1021/acs.jpcc.6b09793</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.6b09793" target="_blank" >10.1021/acs.jpcc.6b09793</a>
Alternative languages
Result language
angličtina
Original language name
Adsorption of PTCDA on Ge(001)
Original language description
Adsorption of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) on the Ge(001) surface was studied using scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and the density-functional theory (DFT) calculations. Only single adsorption configuration of the PTCDA molecule was observed at low coverages on the Ge(001) at room temperature, unlike on the Si(001) where several adsorption configurations were reported. This indicates that the PTCDA molecules on the Ge(001) were more mobile than those on the Si(001). Atomic structure of the adsorption configuration on the Ge(001) was determined by comparison between the STM experiments and the DFT calculations. Bias dependent STM images, STS, and calculated projected density of state curves show nontrivial hybridization of molecular orbitals with surface states of the Ge substrate. Interactions of the PTCDA molecule with the Ge and the Si surfaces were in detail analyzed by the DFT calculation, considering five main competing contributions to the adsorption energy: formation energy of polar covalent Ge-O (Si-0) bonds, energy of molecular deformation, interaction energy of Ge atoms with the perylene core of PTCDA, energy of dimer buckling deformation, and van der Waals interaction energy. The analysis explains different adsorption behaviors between the Ge and the Si substrates.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10305 - Fluids and plasma physics (including surface physics)
Result continuities
Project
<a href="/en/project/GA16-15802S" target="_blank" >GA16-15802S: Self-ordered structures of organic molecules on metal-functionalized silicon surfaces</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
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Volume of the periodical
121
Issue of the periodical within the volume
6
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
3320-3326
UT code for WoS article
000394482300019
EID of the result in the Scopus database
2-s2.0-85026903970