Science Advances

Supplementary Materials

This PDF file includes:

  • Simulation details
  • Table S1. Predicted lattice constant a and enthalpy of formation ∆H for relevant binary and quaternary alloys using DFT and MEAM.
  • Table S2. ICP-MS result for our samples in the NH3 decomposition experiment.
  • Table S3. Simulated lattice distortion of the Ru-4 and Ru-5 MEA-NPs.
  • Table S4. Catalytic performance of NH3 decomposition and comparison with the literature.
  • Fig. S1. Equilibrium phase diagram of Ru-Ni, showing a large immiscible gap.
  • Fig. S2. MEA-NP composition screening and prediction.
  • Fig. S3. Size distribution and macro structure of Ru-MEA NPs.
  • Fig. S4. X-ray absorption spectra for Ru-5 MEA-NPs.
  • Fig. S5. Hybrid MC + MD simulation on MEA-NP stability after annealing.
  • Fig. S6. Ru-5 control samples prepared by impregnation method.
  • Reference (43)

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