Probing the Atomistic Reaction Pathways in CuO/C Catalysts

CuOx/C catalysts have been used in the selective catalytic reduction of NOx because of the exceptional low-temperature denitration (de-NOx) activity. A fundamental understanding of the reaction between CuO and C is critical for controlling the component of CuOx/C and thus optimizing the catalytic performance. In this study, a transmission electron microscope equipped with an in situ heating device was utilized to investigate the atomic-scale reaction between CuO and C. We report two reaction mechanisms relying on the volume ratio between C and CuO: (1) The reduction from CuO to Cu2O (when the ratio is < similar to 31%); (2) the reduction of CuO into polycrystalline Cu (when the ratio is > similar to 34%). The atomistic reduction pathway can be well interpreted by considering the diffusion of O vacancy through the first-principle calculations. The atomic-scale exploration of CuO/C offers ample prospects for the design of industrial de-NOx catalysts in the future.

Automated summary

CuOx/C catalysts are widely used for the selective catalytic reduction of NOx due to their exceptional low-temperature denitration activity. In this study, the atomic-scale reaction between CuO and C was investigated using a transmission electron microscope. Two reaction mechanisms were proposed based on the volume ratio between C and CuO, and the reduction pathway was interpreted by considering the diffusion of O vacancy. This atomic-scale exploration provides promising prospects for the design of industrial de-NOx catalysts in the future.