Congratulation to Xue Qi! Interseting electronic and geometric investigation on single-atoms catalysts for electrochemical CO2 reduction.!divAbstract

We investigate the geometric and electronic properties of a series of single-atom catalysts (SACs) within UiO-66-NH2 (a Zr-based metal-organic frameworks) with respect to electrocatalytic CO2 reduction. A volcano trend in the FEs of CO over the as-synthesised samples has been observed. In particular, the confinement effect within the rigid framework can greatly facilitate redox hopping between the Cu SACs, rendering high FEs of CH4 and C2H4. Despite only demonstrated in selected SACs within UiO-66-NH2, this study sheds light towards the rational engineering of molecular interactions(s) with SACs for the sustainable provision of fine chemicals.