Ammonia Chemisorption on Well-Defined SnO2 (110) Surfaces
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A Theoretical Study of the Influence of Surface Structure on Chemisorption of Nitrogen on Iron Single-Crystal Faces
An Extended Ruckel (E. H.) calculation was performed for the energy of Fex clusters (with x = 9, 10, 13, 15, 18) that are used to model the 111, 100, 110 surface planes of an iron single-crystal. Interaction energies of atomic and molecular nitrogen with each cluster were calculated for different geometrical configurations of the system. From this data thermodynamic and kinetic considerations a...
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