Sharif Digital Repository

A study of the electro-oxidation and surface reactions of C1 compounds on Ni and Cu electrodes, Ni(111) and Cu (111) has been performed by methods of cyclic voltammetry, BOC-MP and DFT. The diffusion coefficients and activation energies of the electro-oxidation of methanol and formaldehyde in alkaline solution on Ni electrode have been derived. Values around 2.27×10-6 cm2s-1, 1.98×10-5cm2s-1, 12.15 Kcal mol-1 and 11.65 Kcal mol-1 have been obtained respectively. In theoretical study , the elimination of hydrogen from CH3 and CH2 groups has been proposed as a mechanism in surface reactions of methanol and formaldehyde on Ni(111) ...