Nature Commun: The nature of active sites for carbon dioxide electroreduction over oxide-derived copper catalysts

The active sites for CO₂ electroreduction (CO₂R) to multi-carbon (C₂₊) products over oxide-derived copper (OD-Cu) catalysts are under long-term intense debate. This paper describes the atomic structure motifs for product-specific active sites on OD-Cu catalysts in CO₂R. Herein, we describe realistic OD-Cu surface models by simulating the oxide-derived process via the molecular dynamic simulation with neural network (NN) potential.

Read more in our recent publication:

The nature of active sites for carbon dioxide electroreduction over oxide-derived copper catalysts