Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates

Intermolecular interactions modulate the electro-optical properties of molecular materials and the nature of low-lying exciton states. Molecular materials composed by oligoacenes are extensively investigated for their semiconducting and optoelectronic properties. Here, we analyze the exciton states...

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Bibliografische Detailangaben

Hauptverfasser:	Yasi Dai, Alessandro Calzolari, Maria Zubiria-Ulacia, David Casanova, Fabrizia Negri
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	MDPI AG 2022-12-01
Schriftenreihe:	Molecules
Schlagworte:	oligoacenes exciton states singlet states triplet states TDDFT diabatization
Online-Zugang:	https://www.mdpi.com/1420-3049/28/1/119
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