Publication Date
1-11-2021
Department
Ames Laboratory; Chemistry; Physics and Astronomy
Campus Units
Ames Laboratory, Chemistry, Physics and Astronomy
OSTI ID+
1762117
Report Number
IS-J 10362
DOI
10.1063/5.0037480
Journal Title
Journal of Chemical Physics
Volume Number
154
Issue Number
2
First Page
024703
Abstract
Intercalated metal nanoclusters (NCs) can be formed under the surface of graphite after sputtering to generate surface “portal” defects that allow deposited atoms to reach the subsurface gallery. However, there is a competition between formation of supported NCs on top of the surface and intercalated NCs under the surface, the latter only dominating at sufficiently high temperature. A stochastic model incorporating appropriate system thermodynamics and kinetics is developed to capture this complex and competitive nucleation and growth process. Kinetic Monte Carlo simulation shows that the model captures experimental trends observed for Cu and other metals and reveals that higher temperatures are needed to facilitate detachment of atoms from supported NCs enabling them to reach the gallery.
DOE Contract Number(s)
AC02-07CH11358
Language
en
Publisher
Iowa State University Digital Repository, Ames IA (United States)
Supplementary Information
