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Thermal faceting of the rutile TiO2(001) surface

✍ Scribed by L.E. Firment

Book ID
118984481
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
754 KB
Volume
116
Category
Article
ISSN
0039-6028

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A theoretical study of the reduction of the TiO, (001) rutile surface by atomic Na is reported. The study is based on ab initio embedded cluster calculations carried out for two different sites of this surface. The first one (A) is represented by a TiO$-cluster and the second (B), an oxygen ending s