期刊
JOURNAL OF CHEMICAL PHYSICS
卷 154, 期 2, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/5.0037480
关键词
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资金
- U.S. Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory Chemical Physics project
- U.S. Department of Energy, Office of Science, Basic Energy Sciences, Division of Materials Sciences and Engineering
- [DE-AC02-07CH11338]
This study reveals the process of intercalated metal nanoclusters formation under the surface of graphite, and analyzes the mechanism and competition of intercalated structure formation under high temperature conditions through models and simulations.
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.
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