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Understanding the role of silicon oxide shell in oxide-assisted SiNWs growth

TitleUnderstanding the role of silicon oxide shell in oxide-assisted SiNWs growth
Publication TypeJournal Article
Year of Publication2014
AuthorsWu, SQ, Wang, CZ, Zhu, ZZ, Ho, KM
JournalMaterials Chemistry and Physics
Volume148
Pagination1145-1148
Date Published12
Type of ArticleArticle
ISBN Number0254-0584
Accession NumberWOS:000344429700093
KeywordsAb initio molecular dynamics, Anisotropic diffusion, augmented-wave method, catalyst-free synthesis, growth mechanism, lithium-ion batteries, Oxide-assisted growth, si nanowires, Silicon nanowire, ultrahigh-vacuum
Abstract

The role of silicon oxide shell in oxide-assisted SiNWs growth is studied by performing ab initio molecular dynamics simulations on the structural and dynamical properties of the interface between crystalline Si(111) surface and disorder SiO thin film. Si atoms in the SiO film tends to aggregate into the vicinity of the Si(111)/SiO interface. In addition, the diffusion of Si atoms at the interface is anisotropic - the diffusion along the interface is several times faster than that perpendicular to the interface. The segregation and anisotropic diffusion of Si atoms at the Si(111)/SiO interface shed interesting light into the mechanism of oxide-assisted silicon nanowire growth. (C) 2014 Elsevier B.V. All rights reserved.

DOI10.1016/j.matchemphys.2014.09.036
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Surface Structures