Copper and cerium co-doped titanium dioxide on catalytic photo reduction of carbon dioxide with water: Experimental and theoretical studies

The catalytic activities of copper and cerium co-doped titanium dioxide were studied experimentally and theoretically in the synthesis of methanol by the photo reduction of carbon dioxide with water firstly. Photo catalysts copper and cerium co-doped titanium dioxide were prepared via the equivalent-volume incipient wetness impregnation method. The catalysts were characterized by XRD, Raman, BET, and electrochemistry analyses. The catalytic properties were determined in the synthesis of methanol from CO2 in the aqueous solution. The experimental results suggested that Cu/Ce–TiO2 catalysts obviously enhanced the efficiency of the photocatalytic reduction of CO2. The methanol yield could reach up to 180.3 μmol/g-cat rapidly. The different effects of copper and cerium on the surface of titanium dioxide have been calculated at the Becke’s three-parameter hybrid exchange functional together with the Lee–Yang–Parr correlation functional (B3LYP) level. Our results revealed that Ce atoms affect the reaction more profoundly than Cu atoms do. Ce atoms activated H2O and CO2 molecules, while Cu atoms act as the channel of photoelectrons in real time and prevent the recombination of electrons and holes.

► The photocurrents of samples modified with Ce were higher than that of Cu/TiO2.
► Cu-Ce/TiO2 is the most active catalyst for the higher CH3OH yield.
► Computational results revealed that Ce and Cu atoms affected the reaction.