Operando Co K-edge XANES of Cobalt Phthalocyanine on Carbon Supports with Varying Curvature

Weak interactions at the solid–liquid interface are important in electrocatalysis but remain difficult to characterize. Cobalt phthalocyanine (CoPc) is a model molecular catalyst for CO₂ reduction, where the curvature of the carbon support can shift selectivity between CO and methanol. In this project, operando Co K-edge XANES at ESRF will be used to probe how glassy carbon, multi-walled and single-walled carbon nanotubes influence the electronic and structural state of CoPc under catalytic bias. Edge shifts, white-line intensity and pre-edge features will be correlated with electrochemical data to identify support-induced states that stabilize key intermediates. Complementary MD and DFT simulations will help interpret the spectra. The results will clarify how support geometry controls reactivity, providing mechanistic insight and practical guidelines for the design of improved molecular electrocatalysts for CO₂ reduction.