Projects per year
Abstract
By studying the low-frequency phonon bands of a series of crystalline acenes, this article lays the foundation for the development of structure–property relationships for phonons in organic semiconductors. Combining state-of-the art quantum–mechanical simulations with simple classical models, we explain how and why phonon frequencies and group velocities do or do not change when varying the molecular and crystal structures of the materials.
Original language | English |
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Pages (from-to) | 2532-2543 |
Number of pages | 12 |
Journal | Journal of Materials Chemistry C |
Volume | 10 |
Issue number | 7 |
Early online date | 2021 |
DOIs | |
Publication status | Published - 21 Feb 2022 |
ASJC Scopus subject areas
- Materials Chemistry
- Chemistry(all)
Fields of Expertise
- Advanced Materials Science
Projects
- 1 Finished