Article

Towards SiC surface functionalization: an ab initio study.

Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
The Journal of Chemical Physics (impact factor: 3.33). 07/2005; 122(21):214716. DOI:10.1063/1.1924546 pp.214716
Source: PubMed

ABSTRACT We present a microscopic model of the interaction and adsorption mechanism of simple organic molecules on SiC surfaces as obtained from ab initio molecular-dynamics simulations. Our results open the way to functionalization of silicon carbide, a leading candidate material for biocompatible devices.

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Keywords

ab initio molecular-dynamics simulations
 
leading candidate material
 
results open
 
simple organic molecules
 

Giancarlo Cicero