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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Principais autores:	Yasi Dai, Alessandro Calzolari, Maria Zubiria-Ulacia, David Casanova, Fabrizia Negri
格式:	Artigo
語言:	Inglês
出版:	MDPI AG 2022-12-01
叢編:	Molecules
主題:	oligoacenes exciton states singlet states triplet states TDDFT diabatization
在線閱讀:	https://www.mdpi.com/1420-3049/28/1/119
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