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Ab initio studies of hydrogen and oxygen chemisorptions on the cubic BN(1 1 1) surface

โœ Scribed by Shuo Wang Yang; Kian Ping Loh; Ping Wu


Book ID
108279209
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
811 KB
Volume
599
Category
Article
ISSN
0039-6028

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Oxidation of the Nb(1 1 0) sur
โœ D.A. Kilimis; Ch.E. Lekka ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 718 KB

We report ab initio (FPLAPW) results referring to the early stages of oxygen deposition on the Nb(1 1 0) surface. We considered the cases of half and full monolayer depostion and we evaluated the structural and electronic properties of the resulting overlayers. From the calculated electronic strctur