Summary of Chemical PhD Thesis: Research the hydrogenation of CO by bimetallic catalyst Ni-Cu, Co-Cu dispersed on carriers of activated carbon, MgO, Al2O3 according to density functional theory method

Research purpose: Using computational chemistry methods to study the mechanism of hydrogenation CO on the transition metal catalyst systems of Ni, Cu, Co, bimetallic catalysts NiCu, CoCu and catalytic systems bearing cluster on oxide carriers: MgO, Al2O3 and activated carbon (AC); compare and clarify the role of catalyst centers in single or bimetallic catalyst systems; clarifies the role of carriers (MgO, Al2O3 and AC) in the hydrogenation of CO.