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Effect of water on the adsorbed structure of formic acid on TiO2 anatase (1 0 1)

✍ Scribed by Kristi L. Miller; John L. Falconer; J. Will Medlin

Book ID
113686957
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
968 KB
Volume
278
Category
Article
ISSN
0021-9517

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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