Adsorption bond length for H2O on TiO2(110): a key parameter for theoretical understanding.
Phys Rev Lett
; 95(22): 226104, 2005 Nov 25.
Article
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| MEDLINE
| ID: mdl-16384241
ABSTRACT
Scanned-energy mode photoelectron diffraction results show the adsorption site of molecular water on TiO2(110) to be atop under-coordinated surface Ti atoms, confirming the results of total energy calculations and STM imaging. However, the Ti-O(water) bond length is 2.21 +/- 0.02 A, much longer than Ti-O bond lengths in strongly chemisorbed species on this surface, but significantly shorter than found in most total energy calculations. The need for theory to describe this weak bond effectively may be a key factor in the controversial problem of understanding this important surface reaction system.
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01-internacional
Base de datos:
MEDLINE
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En
Revista:
Phys Rev Lett
Año:
2005
Tipo del documento:
Article
País de afiliación:
Reino Unido