To realize a green society,hydrogen production from renewable resources is urgently required.With the reformed methanol fuel cells,methanol can be converted into hydrogen.However,the state-of-the-art method for methanol reforming is viable at high temperatures(> 200 °C).Recently,Beller et al.achieved methanol reforming on a Ru(II)complex at temperature below 100 °C.We conducted a detailed density functional theory(DFT)investigation to understand the mechanism for this reaction.In the dehydrogenation of methanol,the reaction of formaldehyde with water,and the dehydrogenation of formic acid,the Ru(II)complex is hydrogenated by concerted electrophilic addition under the cooperation of the Ru center with the ligand.This process represents a new paradigm for the catalytic methanol reforming,distinct from those occurring via a step-wise mechanism on previously reported homogeneous and heterogeneous catalysts.