Molecular adsorption bond lengths at metal oxide surfaces: Failure of current theoretical methods
UNSPECIFIED. (2001) Molecular adsorption bond lengths at metal oxide surfaces: Failure of current theoretical methods. PHYSICAL REVIEW LETTERS, 8708 (8). -. ISSN 0031-9007Full text not available from this repository.
Official URL: http://dx.doi.org/10.1103/PhysRevLett.87.086101
New experimental structure determinations for molecular adsorbates on NiO(100) reveal much shorter Ni-C and Ni-N bond lengths for adsorbed CO and NH3 as well as NO (2.07, 1.88, 2.07 Angstrom) than previously computed theoretical values, with discrepancies up to 0.79 Angstrom, highlighting a major weakness of current theoretical descriptions of oxide-molecule bonding. Comparisons with experimentally determined bond lengths of the same species adsorbed atop Ni on metallic Ni(111) show values on the oxide surface that are consistently larger (0.1-0.3 Angstrom) than on the metal, indicating somewhat weaker bonding.
|Item Type:||Journal Article|
|Subjects:||Q Science > QC Physics|
|Journal or Publication Title:||PHYSICAL REVIEW LETTERS|
|Publisher:||AMERICAN PHYSICAL SOC|
|Official Date:||20 August 2001|
|Number of Pages:||4|
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