Fig. 7: Energy landscape and DFT optimized configurations where conversion of CH4 into C2H4 on Pt-Bi (111) (red dashed lines), Mo2C (001) (black dashed lines), and Pt-Bi-MoC (solid green lines) surfaces. | Nature Communications

Fig. 7: Energy landscape and DFT optimized configurations where conversion of CH4 into C2H4 on Pt-Bi (111) (red dashed lines), Mo2C (001) (black dashed lines), and Pt-Bi-MoC (solid green lines) surfaces.

From: Direct conversion of methane to aromatics and hydrogen via a heterogeneous trimetallic synergistic catalyst

Fig. 7

The free energy changes for CH4 dissociation, H2 and C2H4 desorption are estimated at 710 °C and 1 bar. The configurations of adsorbed CH4, CH3, CH2, C2H4, and H are displayed as inset figures. Color scheme: Mo (purple), C (brown), Bi (magenta), and Pt (gray).

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