The precursor state and the activation barrier for the associative chemisorption of carbon monoxide on first-row transition-metal surfaces (Ti-Cu) have been investigated by using semiempirical molecular orbital calculations. Results show an activation barrier for CO chemisorption. A weakly bound precursor state is also observed when CO is oriented parallel to the metal surface. The CO precursor state on nickel is the most stable one among the first-row transition metals.
|Number of pages||5|
|Publication status||Published - May 1986|
ASJC Scopus subject areas
- Colloid and Surface Chemistry
- Physical and Theoretical Chemistry