The effect of addition of a second metal to activation component and the support with different morphology on H-2 dissociation on Ni/MgO catalyst was investigated using density functional theory. The results show that after addition of a second metal Fe, the metal-support interaction is increased in perfect MgO supported Ni catalyst while it is decreased in defective MgO supported Ni catalyst. Although the change is difference between metal-support interaction, the ability of H-2 dissociation is increased on the two surfaces. Analyzing those results from addition of Fe, Co and Cu to Ni/MgO, one can conclude that it is neither too strong nor too weak (i.e., medium) interaction between metal and support that favors to improve the catalyst performance. (C) 2017 Elsevier B.V. All rights reserved.