Adsorption of PTCDA on Si(001) - 2 × 1 surface

Adsorption of PTCDA on Si(001) - 2 × 1 surface

Adsorption structures of the 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) molecule on the clean Si(001) - 2 × 1 surface were investigated using scanning tunneling microscopy (STM) experiments in conjunction with first principles theoretical calculations. Four dominant adsorption structures w...

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Veröffentlicht in:The Journal of chemical physics 2015-03, Vol.142 (10), p.101904-101904
Hauptverfasser: Suzuki, Takayuki, Yoshimoto, Yoshihide, Yagyu, Kazuma, Tochihara, Hiroshi
Format: Artikel
Sprache:eng
Schlagworte:
ADSORPTION
ANHYDRIDES
CARBON
COMPARATIVE EVALUATIONS
COMPUTERIZED SIMULATION
CRYSTAL STRUCTURE
Dianhydrides
First principles
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
MOLECULES
PERYLENE
SCANNING TUNNELING MICROSCOPY
SILICON
Surface chemistry
SURFACES
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Zusammenfassung:Adsorption structures of the 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) molecule on the clean Si(001) - 2 × 1 surface were investigated using scanning tunneling microscopy (STM) experiments in conjunction with first principles theoretical calculations. Four dominant adsorption structures were observed in the STM experiments and their atomic coordinates on the Si(001) surface were determined by comparison between the experimental STM images and the theoretical simulations. Maximizing the number of the Si-O bonds is more crucial than that of the Si-C bonds in the PTCDA adsorption.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4906118