Density functional theory (DFT) calculations were carried out to explore the adsorptions of reactive species and the reaction mechanisms on Pd–Cu bimetallic catalysts during CO2 hydrogenation to ...

Among the tested catalysts, the catalyst with a Ni/Cu ratio of 1:2 presented the best catalytic performance in comparison with the homometallic Ni/Cu and bimetallic catalysts with different ratios; an ...