Chemisorption of O and H on an Al13 cluster
Abstract
Chemisorption of oxygen and hydrogen atoms onto a 13 atom aluminum cluster is investigated theoretically. Oxygen atoms are found to remain on the outside of the cluster, and at low coverage, to expand the Al-Al bond length by 0.42 bohr. Hydrogen atoms penetrate into the cluster resulting in a sizeable, 0.57 bohr expansion at high coverage. The difference between chemisorption on aluminum and beryllium clusters is discussed.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- June 1986
- DOI:
- 10.1063/1.450747
- Bibcode:
- 1986JChPh..84.6507P
- Keywords:
-
- Aluminum Isotopes;
- Chemisorption;
- Gas-Metal Interactions;
- Hydrogen Atoms;
- Oxygen Atoms;
- Beryllium;
- Clumps;
- Hartree Approximation;
- Metal-Metal Bonding;
- Atomic and Molecular Physics