Defect-Engineered High-Entropy Alloy (Al–Cu–Fe–Ni–Ti) Unlocks Enhanced Hydrogen Evolution Performance
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This dataset contains DFT inputs, initial and optimized structural models for H adsorption on AlCuFeNiTi High Entropy Alloy models, including quasi-random structural models and Cu-clusteres models. The data corresponds to the follosing article:
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Zenodo创建时间：
2026-02-13
