Fig. 4
From: Manganese acting as a high-performance heterogeneous electrocatalyst in carbon dioxide reduction
In situ XAS experiment and DFT calculation. a Normalized XANES of (Cl, N)-Mn/G catalyst under various conditions (inset is the magnified image). b Fourier transform magnitudes of EXAFS spectra of (Cl, N)-Mn/G. c Calculated free energy of CO2RR. d Calculated free energy of hydrogen adsorption. e Projected density of states (PDOS) of the COOH* 2p state (blue-shaded areas) and d-projected DOS of Mn (red-shaded areas) in the adsorption structures for (Cl, N)-Mn/G and N-Mn/G, respectively. f Electron density difference for COOH* adsorbed on (Cl, N)-Mn/G (left) and N-Mn/G (right). The blue and red denote the electron accumulation and electron depletion, respectively. g Structural evolution of the active site for (Cl, N)-Mn/G in electrochemical CO2RR (Mn: purple, Cl: green, N: blue, O: red, H: white and C: gray)
