Methanol oxidation at metal surfaces has been studied
intensively since the late 70s.
In all of the surfaces studied until now, methoxy
radical, CH3O, is the dominant surface intermediate and it is
easily formed by O-H bond cleavage of methanol. Despite the
existence of a lot of work involving CH3O, the structure and
bonding of these species are still unclear. The mechanism for
CH3OH oxidation to H2CO is also not clear.
Results from quantum calculation of adsorbed CH3O and
CH3O oxidation will be presented.
J.R.B. Gomes and J.A.N.F. Gomes
CEQUP/Faculdade de Ci�ncias da Universidade do Porto
Rua do Campo Alegre, 687
4150 Porto - Portugal
email: jrgomes and jfgomes@fc.up.pt