Computational study of cis-oleic acid adsorption on Ni(1Â 1Â 1) surface

► The adsorption process is more favorable through CC group than COOH group. ► The CC bond is bound at a height of 1.10 Å above the surface plane of Ni(1 1 1). ► The main interaction is through Ni p and Ni d bonding with C p orbitals. ► The NiH bonding plays a minor role.