Together with ab initio multiple-scattering calculations, our XAS results enable assignment of characteristic changes of the Pd L-edge intensity and energy position in terms of a mechanistic understanding of the selective oxidation of propene. The results, supported by electrochemical density functional theory DFT simulations, show that in the potential range of 0.8–1.0 V vs. the reversible hydrogen electrode (RHE), selective oxidation of propene to acrolein and acrylic acid occurs on the metallic Pd surface. These reactions are proposed to proceed via the Langmuir–Hinshelwood mechanism. In contrast, for the potential range of 1.1–1.3 V vs. RHE, selective oxidation of propene to propylene glycol takes place on a Pd oxide surface.
Sergey Koroidov, Anna Winiwarter, Oscar Diaz-Morales, Mikaela Görlin, Joakim Halldin Stenlid, Hsin-Yi Wang, Mia Börner, Christopher Matthew Goodwin, Markus Soldemo, Lars Gunnar Moody Pettersson, Jan Rossmeisl, Tony Hansson, Ib Chorkendorff and Anders Nilsson
Catal. Sci. Technol., 2021,11, 3347-3352
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