Multimodal host-guest complexation for efficient and stable perovskite photovoltaics

École Polytechnique Fédérale de Lausanne provides characterization data for research on multimodal host-guest complexation in perovskite photovoltaics. The data includes structural, optoelectronic, and photovoltaic measurements from figures and supplementary information, plus molecular dynamics and DFT calculation files. The dataset supports the findings of the paper with DOI 10.1038/s41467-021-23566-2.

Use Cases

• Analyze structural and optoelectronic properties based on the Excel and image files described for Figures 1-5.
• Validate molecular dynamics simulations based on the provided *.cif files.
• Reproduce density functional theory calculations based on the DFT *.cif files.
• Cross-reference experimental photovoltaic performance with supplementary data from Origin and text files.

Strengths

• Data is directly linked to a peer-reviewed publication in Nature Communications (DOI:10.1038/s41467-021-23566-2).
• Includes multiple data modalities: experimental characterization, molecular dynamics simulations, and DFT calculations.
• Files are organized by figure and supplementary information, which likely aids reproducibility.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Last update date is unknown; freshness unverified.

Provenance

Source

Hong Zhang, École Polytechnique Fédérale de Lausanne

Collection Method

Experimental characterization and computational simulations for a specific research publication.