Fig. 3: Mechanism of catalytic hydrogenation on 2D Cu2O/Pd interface protected by Cu(I)-C≡CPh. | Nature Communications

Fig. 3: Mechanism of catalytic hydrogenation on 2D Cu2O/Pd interface protected by Cu(I)-C≡CPh.

From: Atomic overlayer of permeable microporous cuprous oxide on palladium promotes hydrogenation catalysis

Fig. 3

a Monitoring the catalytic hydrogenation of PhC≡CH on PdCu@Cu2O using in situ FT-IR spectroscopy. b Predicted barriers of stepwise hydrogenation of PhC≡CH on the reduced PdCu alloy and PdCu@Cu2O surface. c DFT-optimized structures of reduced PdCu alloy and defected PdCu@Cu2O with dissociated PhC≡C− bound on defect sites. d Energy profile of PhC≡CH stepwise hydrogenation on PdCu@Cu2O surface protected by PhC≡CH from DFT calculations.

Back to article page