Organic photovoltaics: determining the impact of the 1-chloronaphthalene additive in the PM6:Y6 blends from multi-scale simulations
Combining density functional theory calculations and molecular dynamics simulations, we drew a comprehensive picture that describes how the morphological and electronic properties of PM6:Y6 blends evolve as a function of 1-CN concentration.
Authors
- Jean‐Luc Brédas (ORCID: https://orcid.org/0000-0001-7278-4471)
- Gao‐Feng Han (ORCID: https://orcid.org/0000-0001-5943-0492)
- Tonghui Wang (ORCID: https://orcid.org/0000-0002-5027-1541)
- Xingyou Lang (ORCID: https://orcid.org/0000-0002-8227-9695)
- Qing Jiang (ORCID: https://orcid.org/0000-0002-2552-9686)
- Zhuang Yu (ORCID: https://orcid.org/0000-0003-1676-135X)
- Tao Zhang (ORCID: https://orcid.org/0000-0003-2765-2802)
- Yizhou Li (ORCID: https://orcid.org/0000-0002-7122-2087)
Institutions
- University of Arizona (US)
- Jilin University (CN)
Publication Details
- Journal
- EES solar.
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5el00117j
- Citations
- 2
- Primary Topic
- Chalcogenide Semiconductor Thin Films
- Type
- article
- Field-Weighted Citation Impact
- 1.46