REAL

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

Szűcs, B. and Hajnal, Zoltán and Scholz, R. and Sanna, S. and Frauenheim, Th. (2004) Theoretical study of the adsorption of a PTCDA monolayer on S-passivated GaAs(l00). Applied Surface Science, 234 (1-4). pp. 173-177. ISSN 0169-4332

[img] Text
1122801.pdf
Restricted to Registered users only

Download (239Kb) | Request a copy

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.

Item Type: Article
Subjects: Q Science / természettudomány > QC Physics / fizika
Q Science / természettudomány > QD Chemistry / kémia
T Technology / alkalmazott, műszaki tudományok > T2 Technology (General) / műszaki tudományok általában
Depositing User: Erika Bilicsi
Date Deposited: 11 Apr 2013 10:23
Last Modified: 11 Apr 2013 10:23
URI: http://real.mtak.hu/id/eprint/4755

Actions (login required)

View Item View Item