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Licensed Unlicensed Requires Authentication Published by De Gruyter May 31, 2013

Adsorption of nucleotides on the rutile (110) surface

Sibylle Gemming , Andrey N. Enyashin , Johannes Frenzel and Gotthard Seifert


The present study aims at the computer-aided design of suitably functionalized oxide surfaces for the integration of nanotubes into multi-purpose nano-electronic devices. The adsorption of the nucleotide cytidine monophosphate on the rutile (110) surface is investigated by density-functional-based tight-binding calculations. The nucleotide favors anchoring with two oxygen atoms of its phosphate part. Adsorption occurs preferentially at two neighboring five-fold coordinated Ti atoms along the [001] direction, thus opening a pathway to an ordered adsorption of nanotubes along [001]. The electronic densities of state show that the aromatic part of the cytidine residue remains unchanged upon adsorption on rutile. This implies that no significant changes occur in the nanotube binding capacity by -stacking of the aromatic part, hence, nucleotide-functionalized oxide surfaces are ideal substrates for the ordered, stable and electronically and chemically inert immobilization of nanotubes.

* Correspondence address, PD Dr. Sibylle Gemming, Forschungszentrum Dresden-Rossendorf, POB 51 01 19, D-01314 Dresden, Germany, Tel.: +49 351 260 2470, Fax: +49 351 260 3285, E-mail:


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Received: 2008-12-16
Accepted: 2009-11-12
Published Online: 2013-05-31
Published in Print: 2010-06-01

© 2010, Carl Hanser Verlag, München

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