Source data for "Decoupling Strain and Ligand Effects in Catalysis via Gradient High-Entropy Alloys"
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Source data for "Decoupling Strain and Ligand Effects in Catalysis via Gradient High-Entropy Alloys" The data included the OH* adsorption enrgies and the electronic properites of the acitve site Pt atoms of Mix-HEA, Pt-gradient HEA and the design HEA systems; the bader charge source data for Pt-gradient HEA; the atomic dipole statistical result of Pt-gradient HEA. The relevant structural optimization source data will be uploaded as soon as possible.
创建时间：
2025-12-13
