Adsorption of PTCDA on Ge(001)
Identifikátory výsledku
Kód výsledku v 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>
Výsledek na webu
<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>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Adsorption of PTCDA on Ge(001)
Popis výsledku v původním jazyce
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.
Název v anglickém jazyce
Adsorption of PTCDA on Ge(001)
Popis výsledku anglicky
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.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10305 - Fluids and plasma physics (including surface physics)
Návaznosti výsledku
Projekt
<a href="/cs/project/GA16-15802S" target="_blank" >GA16-15802S: Samo-uspořádané molekulární struktury na površích křemíku modifikovaných kovy</a><br>
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2017
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
—
Svazek periodika
121
Číslo periodika v rámci svazku
6
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
7
Strana od-do
3320-3326
Kód UT WoS článku
000394482300019
EID výsledku v databázi Scopus
2-s2.0-85026903970