Towards SiC surface functionalization: an ab initio study

J Chem Phys. 2005 Jun 1;122(21):214716. doi: 10.1063/1.1924546.

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.