Disorder-Tuned B5 Step Ensembles Govern Ammonia Decomposition on Co-Cu-Fe-Mo-Ni High-Entropy Alloys.

We establish an end-to-end framework that generalizes across alloy families and, applied here to Co-Cu-Fe-Mo-Ni, maps alloy composition to B5 step ensembles (B5 sites) on fcc(211), *N-adsorption energies ΔE(*N) and rates for ammonia decomposition rea…

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