Towards SiC surface functionalization: an ab initio study.
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.
Cicero
Giancarlo
G
Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
Catellani
Alessandra
A