Data underlying the publication: On the Oxidation State of Single-Atom Re/TiO2 Hydrogenation Catalysts: A Computational Study
收藏DataCite Commons2024-09-17 更新2024-10-19 收录
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https://data.4tu.nl/datasets/198a447c-78a0-4728-b05e-d2a89beaf1ff/1
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资源简介：
Optimized structures in the VASP POSCAR format for our study <em>'On the Oxidation State of Single-Atom Re/TiO2 Hydrogenation Catalysts: A Computational Study'</em> are provided in this dataset. It includes different single-atom Re surface species and the important intermediates and transition states for CO2 activation for lower energy Re species.
提供机构：
4TU.ResearchData
创建时间：
2024-09-17
