First principles study of Gallium atom adsorption on the alpha-AL2O3(0001) surface
Date
2006
Authors
Yang, Rui
Rendell, Alistair
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Publisher
American Chemical Society
Abstract
The adsorption of Ga atoms in low coverage on the Al-terminated α-Al2O3(0001) surface has been studied theoretically by using first principles periodic boundary condition (PBC) calculations within the framework of the generalized gradient approximation (
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Keywords: Adsorption; Alumina; Charge transfer; Oxygen; Surface phenomena; Chemical interactions; Generalized gradient approximation (GGA); Highest Occupied Molecular Orbital (HOMO); Surface state; Gallium
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Source
Journal of Physical Chemistry B
Type
Journal article
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2037-12-31
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