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)

IS-J 10362 SI.pdf (745 kB)
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