Effect of thermal disorder on the electronic structure and the charge mobility of acenes
Combining MD, FGR, and KMC, we show that thermal disorder drives polaron formation and governs charge mobility in acenes. The presented protocol, without any external parameter, is accurate, efficient, and quantitatively reproduces the experiments.
Authors
- Daniele Padula (ORCID: https://orcid.org/0000-0002-7171-7928)
- Alessandro Landi (ORCID: https://orcid.org/0000-0003-3627-5535)
- Anna Leo (ORCID: https://orcid.org/0000-0002-4596-428X)
- Francesco Ambrosio (ORCID: https://orcid.org/0000-0002-6388-9586)
- Giacomo Prampolini (ORCID: https://orcid.org/0000-0002-0547-8893)
- Andrea Peluso (ORCID: https://orcid.org/0000-0002-6140-9825)
Institutions
- University of Siena (IT)
- University of Salerno (IT)
- University of Basilicata (IT)
- Institute for the Chemistry of OrganoMetallic Compounds (IT)
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5tc03115j
- Citations
- 1
- Primary Topic
- 2D Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.52