ArticleJournal of materials chemistry. C2022
Discovering structure-property relationships for the phonon band structures of hydrocarbon-based organic semiconductor crystals: the instructive case of acenes.
Article in Journal of materials chemistry. C, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Accurate and Efficient Phonon Calculations in Molecular Crystals via Minimal Molecular Displacements.Journal of chemical theory and computation · 2025Article
- Excimer formation in zinc-phthalocyanine revealed using ultrafast electron diffraction.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Anisotropic Phonon Bands in H-Bonded Molecular Crystals: The Instructive Case of α-Quinacridone.ACS materials Au · 2023Article
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Authors and funding
2 authors.
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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.
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Registered trials
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