Publication | Open Access
Catalytic activation of a non-noble intermetallic surface through nanostructuration under hydrogenation conditions revealed by atomistic thermodynamics
12
Citations
51
References
2020
Year
EngineeringNanoheterogeneous CatalysisNanocatalysisChemistryCatalyst ActivationHydrogenation ConditionsSubsequent Catalytic ActivationAtomistic ThermodynamicsReaction ConditionsMaterials ScienceInorganic ChemistryCatalytic MaterialNanotechnologyNanostructuringCatalytic ActivationCatalysisHydrogenSurface ChemistrySurface ScienceHeterogeneous CatalysisSingle-atom CatalystSurface Reactivity
On the basis of DFT, we predict nanostructuration and subsequent catalytic activation of Al<sub>13</sub>Co<sub>4</sub>(100) under reaction conditions, while Al<sub>13</sub>Fe<sub>4</sub>(010) remains nanostructured.
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