Site symmetry dependence of repulsive interactions between chemisorbed oxygen atoms on

Ge, Q.; Hu, P.
January 1997
Journal of Chemical Physics;1/15/1997, Vol. 106 Issue 3, p1210
Academic Journal
Describes the chemisorption of oxygen atoms on a Pt{100}-(1x1) slab using ab initio total energy calculations. Binding energies and heats of adsorption at diffeernt oxygen coverages; Analysis of the partical charge densities associated with Bloch states; Local structures formed upon oxygen chemisorption.


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