Structure determination of formic acid reaction products on TiO2(110)
UNSPECIFIED. (2004) Structure determination of formic acid reaction products on TiO2(110). JOURNAL OF PHYSICAL CHEMISTRY B, 108 (38). pp. 14316-14323. ISSN 1520-6106Full text not available from this repository.
Official URL: http://dx.doi.org/10.1021/jp049833s
Using chemical-state-specific scanned-energy-mode photoelectron diffraction (PhD) from O 1s and C 1s photoemission, we have determined the local structure of the surface species produced on the rutile TiO2(110) surface as a result of room temperature exposure to formic acid. The results show clear evidence for the coexistence of formate, HCOO, and hydroxyl, OH, surface species. The formate species is aligned along , bridging an adjacent pair of surface 5-fold-coordinated Ti atoms with the formate O atoms nearly atop the Ti atoms with a Ti-O bond length of 2.08 +/- 0.03 Angstrom, consistent with scanning tunneling microscopy observations, a number of theoretical calculations, and an earlier very restricted PhD study. The hydroxyl species are formed by H attachment to the surface bridging O atoms and have a Ti-O bond length of 2.02 +/- 0.05 Angstrom, significantly longer than for the bridging oxygen atoms on a bulk-terminated surface or as previously reported for the clean surface. Our results exclude the possibility of a large (1/3) fractional occupation by the formate species of a second site azimuthally rotated by 90degrees and bonded to a surface oxygen vacancy site, as proposed in some earlier infrared and X-ray absorption spectroscopic studies. A much smaller concentration of such a second species cannot be excluded.
|Item Type:||Journal Article|
|Subjects:||Q Science > QD Chemistry|
|Journal or Publication Title:||JOURNAL OF PHYSICAL CHEMISTRY B|
|Publisher:||AMER CHEMICAL SOC|
|Date:||23 September 2004|
|Number of Pages:||8|
|Page Range:||pp. 14316-14323|
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