Abstract: The mechanisms of n-hexane isomerization on palladium-loaded NiSMM were studied. It was found that n-hexane isomerization on Pd/NiSMM follows a combination of bifunctional catalytic mechanism and acidic catalytic mechanism, n-Hexane is first converted to single-branched isohexanes by bifunctional mechanism, and then the latter is converted to isohexane with more than two side chains under the action of acidic sites. Bronsted acidic sites required in bifunctional mechanism are mainly formed during reduction of the catalyst. Reduction of nickel ions provides both metal with catalytic function and Bronsted acid. The main function of palladium is to promote the reduction of nickel ions.