Design guidance and band gap prediction of two-dimensional hybrid organic–inorganic perovskites by ensemble learning and graph convolutional neural networks
A two-stage framework combining ensemble learning and site-attention-based GCN is designed to predict HOIP dimensionality and 2D HOIP band gap, guiding organic-cation selection and speeding discovery of 2D HOIPs with target optoelectronic properties.
Authors
- Xia Cai
- Lin Wang (ORCID: https://orcid.org/0000-0002-4045-5398)
- Jianfei Liu (ORCID: https://orcid.org/0000-0002-3517-0152)
- Yiqiang Zhan (ORCID: https://orcid.org/0000-0001-5815-9725)
Institutions
- Shanghai Normal University (CN)
- Fudan University (CN)
Publication Details
- Journal
- Digital Discovery
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5dd00163c
- Citations
- 1
- Primary Topic
- Perovskite Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.73
Funders
- National Natural Science Foundation of China