Halogen-based MXenes with H2O, OH and H3O under interlayer spacing
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These are datasets for the Ti3C2Cl2-H2O and Ti3C2Br2-H2O systems by integrating advanced technologies such as general atomic model pre-sampling, active learning based on force deviation, and structure screening based on geometric descriptors.
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Zenodo创建时间:
2026-03-18



