Extending the mean-field microkinetics for an accurate and efficient modeling of complex heterogeneous catalyst surfaces
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This is the dataset for the following publication: Yaqing Wang, Tonghao Shen, Yuqi Yang, Xin Xu, "Extending the mean-field microkinetics for an accurate and efficient modeling of complex heterogeneous catalyst surfaces" It contains the following files: - POSCAR files for all DFT calculations.
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Zenodo创建时间:
2026-02-22



