Fig. 4: DFT calculations of DRM reactions.
From: Balancing elementary steps enables coke-free dry reforming of methane
a Schematic illustration of coke resistance on CoGa; b Energy diagram of CHx (x = 1-4) dehydrogenation on Co (blue), CoGa (red), and CoGa3 (black, dash); c Summary of the energy barriers on Co and CoGa; d Contour plot of relative adsorption energy of C atom on Co (upper panel) and CoGa (lower panel). The level step of both contour plots is 0.25 eV. The unit of color bar is eV. Blue, green, and gray ball are denoted for Co, Ga, and C, respectively.
