화학공학소재연구정보센터
Applied Surface Science, Vol.335, 198-207, 2015
The process of dissociation of Cl-2 molecule on the Ge(001)-p(1 x 2) surface
In this paper, we analyze theoretically four possible reaction paths during dissociative adsorption of chlorine molecule at the germanium surface. We have calculated the temporary atomic structures, local density of states and spatial distributions of charge density during the processes of dissociation and adsorption. Depending on the reaction path the properties of the system in the process can differ significantly from the final state. (C) 2015 Elsevier B.V. All rights reserved.