2D Perovskite Solar Cell Performance with Chemical Information (Derived from the Perovskite Database Project)

This dataset originates from the Perovskite Database Project [1], which compiles performance data for perovskite solar cells. We have enhanced the dataset by incorporating detailed information about spacer cations, including molecular weight, the number of nitrogen-containing functional groups, structural features, halogen substitutions, and the stoichiometric ratio between the spacer cation and the metal ion in the inorganic layer. These additions enable a more comprehensive analysis of the relationship between molecular structure and device performance.

Original data were obtained from Materials Zone (https://www.materials.zone/), which is part of the Perovskite Database (https://doi.org/10.1038/s41560-021-00941-3). The Database is available under a CC-BY License. https://creativecommons.org/licenses/by/4.0/

Chemical information of each data points' spacer cation (e.g., molecular weight, number of nitrogen functional groups, structure (ring vs. linear structure), halogen addition, and stoichiometry relation of spacer cation and metal) is annually collected and mapped to the original data to bridge structure - property relationship.

Ambiguous spacer cation names (e.g., ‘HA’) were resolved by manually reviewing primary literature sources. In cases where the original publication was unclear or conflicting, the most likely interpretation was selected based on context. Some assignments may be subject to revision.

Source citation: [1] Jacobsson, T. J., Hultqvist, A., García-Fernández, A., Anand, A., Al-Ashouri, A., Hagfeldt, A., Crovetto, A., Abate, A., Ricciardulli, A. G., Vijayan, A., Kulkarni, A., Anderson, A. Y., Darwich, B. P., Yang, B., Coles, B. L., Perini, C. A. R., Rehermann, C., Ramirez, D., Fairen-Jimenez, D., … Unger, E. (2021). An open-access database and analysis tool for perovskite solar cells based on the FAIR data principles. Nature Energy, 7(1), 107–115. https://doi.org/10.1038/s41560-021-00941-3