Fig. 5: Electronic structure and redox dynamics of Cu(x)Ca(1-x)O MMO catalysts.

A In situ UV-VisDRS of fresh Cu0.05Ca0.95O MMO catalyst and during reaction with 1,4-BDO at 150 °C under inert (RHC) and under air (OHC). B In situ XANES at 150 °C of Cu0.05Ca0.95O MMO catalyst during reaction with 1,4-BDO. As the reaction proceeds (0–75 min), the catalyst reduces. C The relative population of Cu2+, Cu+, and Cu0 extracted from panel (B) as a function of reaction time at 150 °C. H2-TPR profiles of D crystalline CuO, crystalline Cu2O, and E Cu(x)Ca(1-x)O MMO catalysts with 5–36% Cu-content. F Results of TPR peak deconvolution quantifying crystalline CuO and CuCaO domains in the MMO catalysts.