Fig. 8: Reaction pathway based on in situ experiments and DFT calculations.
From: Platinum–copper single atom alloy catalysts with high performance towards glycerol hydrogenolysis
a In situ DRIFTS spectra of gaseous glycerol and the chemically adsorbed glycerol over Pt/MMO, Cu/MMO, and PtCu–SAA, respectively. The corresponding geometric structures for the consequent products of glycerol dissociation on b Cu (111) surface, and c PtCu–SAA (111) surface. Cu, orange, Pt, blue, C, grey, O, red, H, white. d Potential energy profiles for glycerol hydrogenolysis on Cu (111) and PtCu–SAA (111) surface. The magenta line and green line illustrates dehydration and dehydrogenation step on PtCu–SAA surface, respectively, and the blue line displays dehydrogenation step on monometallic Cu (111) surface. Numbers in the parentheses represent reaction barriers of elementary step.
