Source data for "Decoupling Strain and Ligand Effects in Catalysis via Gradient High-Entropy Alloys"
收藏Figshare2025-12-13 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Source_data_for_Depth-wise_engineering_of_catalysts_via_long-range_electronic_and_strain_gradients_in_Pt-skin_high-entropy_alloys_/30875816
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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
