Jla. Alves et al., HYDROGEN, OXYGEN AND CHLORINE ADSORPTION ON AG(110) SURFACE - A CLUSTER CALCULATION, Materials science & engineering. B, Solid-state materials for advanced technology, 37(1-3), 1996, pp. 139-141
The adsorption of atoms on Ag(110) surfaces has been widely investigat
ed both theoretically and experimentally. The importance of the (110)
face results from the much better catalytic properties of the single c
rystal Ag(110) compared with polycrystalline samples. The aim of this
work is to study the systems Ag(110): H, O, Cl by means of rigorous ab
initio quantum-chemical calculations. We have investigated several po
ssible binding sites, geometries, elastic constants, binding energies
and charge distributions for H, O and Cl on Ag(110) surfaces simulated
by clusters Ag, (n = 3,10).