Fig. 5: H2O2 direct synthesis mechanisms of Ni50Pt50(111) and Pd(111) from DFT calculations. | npj Computational Materials

Fig. 5: H2O2 direct synthesis mechanisms of Ni50Pt50(111) and Pd(111) from DFT calculations.

From: High-throughput computational-experimental screening protocol for the discovery of bimetallic catalysts

Fig. 5

a The Langmuir-Hinshelwood mechanism. b The electron–proton transfer mechanism. The cyan lines are the energy diagram for Ni50Pt50(111), and the magenta lines are for Pd(111). The color code for the atoms is as follows: teal = Ni, coral = Pt, red = O, and green = H.

Back to article page