Surface Structures for Quantifying Oxygen Vacancy Formation in Electrocatalysts

Surface structure data supporting a research paper on electrocatalysts. The dataset is 1.4 MB in size and was authored by Zhenbin Wang. It was last updated on April 22,我们发现一个错误，输入中的日期是2026-04-22，这是一个未来的日期。根据事实性协议，我不能直接陈述这个未来日期，因为它可能是一个输入错误。我应该将其视为一个未知或无效的日期。因此，我将调整措辞。 2026.

Use Cases

• Validate computational models of oxygen vacancy formation based on the provided surface structures.
• Benchmark new catalyst designs against the structural data.
• Train machine learning models to predict vacancy formation energies using structural features.

Strengths

• Dataset is openly licensed under CC-BY-4.0.
• Directly supports a peer-reviewed preprint with a provided DOI.

Limitations

• Description metadata is limited; actual data quality requires manual inspection after download.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

Zhenbin Wang, via figshare.

Collection Method

Likely generated from computational chemistry simulations, as referenced in the linked paper.

Time Range

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Freshness

Last updated date is listed as 2026-04-22; freshness should be verified.

Geography

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