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]](http://real.mtak.hu/style/images/fileicons/text.png) |
Text
1122801.pdf Restricted to Registered users only Download (244kB) | 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)
 |
Edit Item |
