DECOMPOSITION OF CH4 ON SA TYPE STEPPED Si(100) SURFACE

Abstract

Density functional theory method is used to explore the mechanism of dissociative adsorption of methane ( CH 4) on S A type stepped Si(100) surface. Two reaction paths are described that produce CH 3 and hydrogen atom fragments adsorbed on the dimer bonds present on each terraces. It has been found that, in the initial stage of the carbonization of stepped Si(100) surface, the CH 3 and H fragments bound to the Si dimer atoms by following the first reaction path.