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

Abstract

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 CO 2 in the aqueous solution. The experimental results suggested that Cu/Ce–TiO 2 catalysts obviously enhanced the efficiency of the photocatalytic reduction of CO 2. 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 H 2O and CO 2 molecules, while Cu atoms act as the channel of photoelectrons in real time and prevent the recombination of electrons and holes.