Theoretical study of the adsorption of C5Hn (n=5,8,10) on Ni(100) and Ni(111) surfaces

ASED-MO method is applied to study the adsorption of cyclopentane, cyclopentene and cyclopendienile anion on Ni(100)25 and Ni(111)25 surfaces. Results show an increasing of the molecule-surface interaction the larger is the non-saturation degree of the cyclic structures and a greater stability degree on the (100) surface with respect to the (111) surface.