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Electronic structure study of scanning tunneling microscopy images of the rutile TiO2(1 1 0) surface and their implications on the surface relaxation

โœ Scribed by D. Jung; H.-J. Koo; D. Dai; M.-H. Whangbo


Book ID
117215346
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
337 KB
Volume
473
Category
Article
ISSN
0039-6028

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We present analysis of the molecular orbitals of an isolated water molecule physisorbed on the rutile TiO 2 (1 1 0) surface and MgO (1 0 0) surface. On the TiO 2 surface the 3a 1 and 1b 1 orbitals split due to the interactions with the surface atoms. This resembles the features of the experimental e