Site-binding energies

TABLE 2.1. CO top site binding energies relative to Pt (111), center of the total rf-band DOS and the center of the partial DOS composed of unoccupied d i states and occupied and dy states for the nPt/ALOs system. All energies are in... 

Table 2.1 shows the top site chemisorption energy for the adsorption of CO onto the Pt/Oj-a-alumina system as a function of metal layers, relative to Pt (111). For the monolayer of metal on the surface there is an enhancement of the CO top site binding energy relative to Pt (111). On the other hand, the second layer of Pt/Ox shows a dramatic decrease in the top site chemisorption energy. For three layers of Pt on this surface, the chemisorption energy oscillates above the Pt (111) energy, eventually returning to the Pt (111) value for n > A. 

Thus from these data it may be safely concluded that the three peaks in Figures 14 and 15 are associated to one kind of Lewis acid site (binding energy 398 0.3 eV) and two kinds of Brbnsted acid sites, one being rather weak (BE = 400.0 0.3 eV) and the other one relatively strong (BE = 401.8 0.3 eV). 

Table 2. Interaction sites, binding energy, hydrogen bond sites, and bond distance, calculated based on the bioinformatics tool for the cross-linking between collagen (Type I) and alginic acid.

Interaction site Binding energy (kcal/mol) H-bond Bond distance (A)... 

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