Hetero-Structured COF Membranes with Graded Pores for Efficient H2 Purification
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This dataset contains the simulation input files and computational protocols supporting the study on 'Hetero-Structured COF Membranes with Graded Pores for Efficient H₂ Purification'. It includes files for high-throughput computing, interaction energy calculations, cutoff energy convergence tests, and EAM potential conversion.
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Zenodo创建时间：
2026-09-25
