抄録
Elucidation of mechanism on the anode of DMFC, that is catalytic reaction of CH3OH, is important for realization of the high efficiency and searching for an alternative catalyst to Pt and the alloy catalyst. In this study, adsorption energy of CH3OH with respect to each adsorption atom and each site investigated by using Density Functional Theory(DFT). Adsorption including OH band tends to stable and it is guessed the reaction on the catalyst takes place via that. Moreover, because of chasing the path after the adsorption, we think about the change in energy by comparing it with the state taking one H and by using a dynamic calculation.
