Mechanism of methanol synthesis from CO2 on Cu/CeO2 and Cu/W-CeO2: a DFT investigation into the nature of W-doping

The modified text: DFT calculations indicate that W-doping changes the reaction of methanol synthesis from CO 2 at the Cu 8 /CeO 2 -O v from the RWGS + CO hydrogenation pathway to the formate pathway by weakening the interaction of Cu–O up but enhancing the C–O down bond.