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Elsevier, Applied Surface Science, 1-4(234), p. 173-177

DOI: 10.1016/j.apsusc.2004.05.181

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Theoretical study of the adsorption of a PTCDA monolayer on S-passivated GaAs(l00)

Journal article published in 2004 by B. Szűcs, Zoltán Hajnal, R. Scholz, S. Sanna ORCID, Th-H. Frauenheim
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

This work investigates the adsorption of a PTCDA (3,4,9,10-perylene tetracarboxylic dianhydride) monolayer on a 2 x 1 S-passivated GaAs(1 0 0) surface with density functional based tight binding (DFTB) calculations. The structure of the first monolayer is discussed within the restricted class of surface unit cells including a single PTCDA molecule, and the calculated current-voltage characteristics are used to predict the electronic transport properties of the hybrid system.