Coordination tailoring of Cu single sites on C3N4 realizes selective CO2 hydrogenation at low temperature
This study demonstrates that Cu single atoms supported on C3N4, with tailored coordination structures (Cu-N4 and Cu-N3), can serve as highly active and selective catalysts for CO2 hydrogenation at low temperatures. The Cu-N4 SAC exhibits exceptional CH3OH selectivity (95.5%) and productivity (4.2 mmol g⁻¹ h⁻¹) at 150 °C, outperforming commercial Cu-ZnO/Al2O3 catalysts. DFT calculations suggest different reaction pathways for CH3OH and CO formation on Cu-N4 and Cu-N3 SACs, respectively.