Acquiring hybrid molecular crystal materials through high-throughput screening
Hybrid molecular crystal prediction flow and dielectric properties’ benchmarking: comparative analysis of the dielectric constants and band gaps with reference crystals.
Authors
- Ruining Wang (ORCID: https://orcid.org/0000-0002-2112-9108)
- Peng-Lai Gong (ORCID: https://orcid.org/0000-0001-9075-2879)
- Xingqiang Shi (ORCID: https://orcid.org/0000-0003-2029-1506)
- Chendong Jin (ORCID: https://orcid.org/0000-0002-9859-8471)
- Youngjin Kang (ORCID: https://orcid.org/0000-0002-1207-5777)
- Ziye Li (ORCID: https://orcid.org/0009-0006-7816-5341)
- Fusheng Zhang (ORCID: https://orcid.org/0000-0001-8585-5478)
- Yuhan Yang (ORCID: https://orcid.org/0000-0002-4177-6396)
- Jia-Bin Liu (ORCID: https://orcid.org/0009-0001-2387-390X)
- Jianglong Wang (ORCID: https://orcid.org/0000-0002-4173-7960)
Institutions
- Hebei University (CN)
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5tc00539f
- Primary Topic
- Electronic and Structural Properties of Oxides
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China