Fig. 6: DFT Calculations. | NPG Asia Materials

Fig. 6: DFT Calculations.

From: Constructing a multi-bishelled cobalt-based electrocatalyst for the oxygen evolution reaction in CO2 electrolysis

Fig. 6

Gibbs free energy diagrams of the OER process for Co9S8 and Co-S-Se at (a) 0 V and (b) 1.23 V. c Density of states (DOS) of Co9S8 and Co-S-Se (the red and blue dashed lines represent the d-band centers of Co9S8 and Co-S-Se, respectively). d The charge density difference at the interface in Co-S-Se. Light pink and light green represent charge accumulation and depletion, respectively.

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