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DFT calculations. (A) PDOS (d-band center) of Pd and Pd67Ag33; the Inset shows the optimized configurations of Pd and Pd67Ag33. (B) Calculated adsorption energy of *EG, *OH, *CO, and *OCCH2OH on Pd (111) and Pd67Ag33 (111); the Inset shows the most energetically favorable adsorption configurations of molecules on Pd67Ag33. (C) Free-energy profile of the selective EGOR on Pd67Ag33 (111) and Pd (111). (D) Scheme of the proposed EGOR mechanism on Pd and Pd67Ag33.
