Extended Data Figure 8: Adsorption energies in surface models and some detailed reaction paths.
From: Low-temperature hydrogen production from water and methanol using Pt/α-MoC catalysts
a, Adsorption energies (Eads, measured in eV) of CH3OH, H2O, CO, CO2, H and H2 in different surface models. b, c, Reaction pathways for the APRM-driven formation of formic acid (HCOOH) via OH oxidation on b, Pt(111) and c, Pt1/α-MoC(111). The energy profile for the HCOOH conversion route of methanol reforming over the two models incorporates the zero-point energy and entropy correction at 463 K. The results suggest that the HCOOH route is not kinetically favoured as compared with the CHO dissociation route. d, Intermediate structures and corresponding energies for elementary steps of the reaction CO + 2OH → CO2 + H2O. TS, transition state; FS, final state.
