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Defects at the (1 1 0) surface of rutile TiO2 from ab initio calculations

✍ Scribed by Tor S. Bjørheim; Akihide Kuwabara; Chris E. Mohn; Truls Norby


Book ID
113650022
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
932 KB
Volume
37
Category
Article
ISSN
0360-3199

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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