Fig. 6: DFT calculation for catalytic mechanism. | Nature Communications

Fig. 6: DFT calculation for catalytic mechanism.

From: A lattice oxygen-free design for efficient and stable photothermal methane dry reforming

Fig. 6: DFT calculation for catalytic mechanism.

Gibbs free energy diagrams of CH4 conversion (a) and CO2 conversion (b, c) on the pristine NiCo and N-Ni/NiCo surface, the dashed box marks the carbon accumulation step in the reaction process. d Schematic illustration of catalyst structures and reaction mechanisms for the light-driven DRM reaction, the dashed circle marks the electron transfer between atoms.

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