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A database of non-aqueous proton conductors

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Zenodo2025-03-10 更新2026-05-29 收录
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This dataset supports the publication titled "A database of non-aqueous proton conducting materials," which compiles experimental data on non-aqueous proton conductors from 48 peer-reviewed papers. The dataset encompasses 74 distinct compounds, yielding a total of 3152 data points that cover a broad temperature range from −70°C to 260°C. Contents of the Dataset: Chemical Structures: Molecules are encoded using SMILES (Simplified Molecular-Input Line-Entry System) for easy parsing and compatibility with cheminformatics tools. Experimental Data: The dataset includes proton conductivity and proton diffusion coefficients. Parameters are reported both for doped and undoped systems, with doping levels explicitly quantified. File Formats: Raw Data: An Excel spreadsheet (.xlsx) with two sheets (“Compounds” and “Parameters”) containing original data as extracted from the papers. Cleaned Data: Two tab-separated values (.tsv) files, containing conductivity and diffusion coefficients, which have been standardized for easy integration into machine learning models.

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Zenodo
创建时间:
2025-02-12
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