Self-ordering of chemisorbed PTCDA molecules on Ge(001) driven by repulsive forces
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F19%3A10405868" target="_blank" >RIV/00216208:11320/19:10405868 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=j.D3GfeU5r" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=j.D3GfeU5r</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c9cp01335k" target="_blank" >10.1039/c9cp01335k</a>
Alternative languages
Result language
angličtina
Original language name
Self-ordering of chemisorbed PTCDA molecules on Ge(001) driven by repulsive forces
Original language description
Realization of future hybrid electronic devices combining organic and inorganic semiconductors requires a well-defined interface between both components. Such an interface can be formed generally by self-ordering of organic molecules on inorganic substrates, which is usually hindered by strong covalent bonds to the semiconductor surface. In this paper, the 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) molecules were unexpectedly found to form a locally self-ordered monolayer on a strongly interacting semiconductor surface of the Ge(001). Molecular arrangements with preferential separations between the molecules were observed by the scanning tunneling microscopy at various coverages of the molecules and substrate temperatures, suggesting strong inter-molecular interaction. Atomic structures of two paired molecules and their inter-molecular interaction energies in five different configurations were calculated by density functional theory. Simple Monte Carlo simulations show that mobility of molecules activated only by the inter-molecular interactions is sufficient to reproduce the local self-ordering. A dominant inter-molecular interaction between neighboring chemisorbed molecules has mostly positive energy (destabilizing) except for a single configuration, which leads to the formation of one-dimensional chains of the molecules and finally a periodic two-dimensional array by increasing the coverage.
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
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Volume of the periodical
21
Issue of the periodical within the volume
18
Country of publishing house
GB - UNITED KINGDOM
Number of pages
8
Pages from-to
9504-9511
UT code for WoS article
000472922500053
EID of the result in the Scopus database
2-s2.0-85065621205