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Computational Design of Ni6@Pt1M31 Clusters for Multifunctional Electrocatalysts

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Date of Publication:2024-03-29

Journal:MOLECULES

Volume:28

Issue:22

Key Words:CATALYSTS; CORE-SHELL NANOPARTICLES; ELECTRONIC-STRUCTURE; EXCHANGE; HYDROGEN EVOLUTION REACTION; NI; OXYGEN REDUCTION REACTION; TOTAL-ENERGY CALCULATIONS; VOLMER-HEYROVSKY; WATER

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