Trends within the adsorption energy of alcohols over rutile TiO2(110) and (011) clusters

Trends within the adsorption energy of alcohols over rutile TiO2(110) and (011) clusters

Kieu, L ; Boyd, Peter ; Idriss, H
Identifier: http://hdl.handle.net/2292/7886
Issue Date: 2002
Reference: Journal of Molecular Catalysis A-Chemical 188:153-161 2002
Rights: Copyright: 2002 Elsevier Science B.V.
Rights (URI): https://researchspace.auckland.ac.nz/docs/uoa-docs/rights.htm

Abstract:

The non-dissociative adsorption energy of a series of alcohols over a rutile Ti8O29H26 cluster, representing the TiO2(0 1 1) surface, as well as over a rutile Ti11O42H40 cluster, representing the TiO2(1 1 0) surface, was computed by means of a semi-e

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DOI: 10.1016/S1381-1169(02)00210-8
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