Diffusion of Gold Clusters on Defective Graphite Surfaces

Autor:	Uzi Landman, Jianping Gao, W. D. Luedtke, Bokwon Yoon
Rok vydání:	2003
Předmět:	Surface (mathematics) Materials science Analytic model Deep hole Edge (geometry) Surfaces Coatings and Films Molecular dynamics Chemical physics Materials Chemistry Cluster (physics) Graphite Physical and Theoretical Chemistry Diffusion (business) Atomic physics
Zdroj:	The Journal of Physical Chemistry B. 107:5882-5891
ISSN:	1520-5207 1520-6106
Popis:	Diffusion characteristics of gold clusters (consisting of 38, 79, 140, or 586 atoms) on two types of defective graphite surfaces, one with a one-layer deep hole and the other with a one-layer high step edge, are studied with the use of molecular dynamics simulations. The effects of the defects on the energetics of the cluster and on the diffusive trajectories are investigated. The simulations guide formulation of a simple analytic model that is demonstrated to provide an appropriate description of the energy and of the forces acting on a cluster diffusing on a graphite surface in the presence of defects.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::9ab9d3ba6c7ace6c4ec915919f51fd63 https://doi.org/10.1021/jp034415t Zobrazit plný text záznamu