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EnglishWe study poly(para‐phenylene‐vinylene) PPV in a π‐stacked crystalline configuration, through ab initio density functional techniques for the electronic structure and optical properties. We find that interchain interactions, while maintaining the quasi‐1D characteristics of the lowest singlet and triplet excitons, introduces other bound excitons that should favor intersystem crossing and enhance the singlet exciton yield.
Light-emitting polymers: a first-principles analysis of singlet-exciton harvesting in PPV / Caldas, M. J.; Bussi, G.; Ruini, A.; Molinari, E.. - 772:1(2005), pp. 10.1063/1.1994489.1085-10.1063/1.1994489.1086. ((Intervento presentato al convegno Physics of semiconductors : 27th International Conference on the Physics of Semiconductors - ICPS-27 tenutosi a Flagstaff, Arizona nel 26-30 July, 2004.
| Titolo: | Light-emitting polymers: a first-principles analysis of singlet-exciton harvesting in PPV |
| Autori: | Caldas, M. J.; Bussi, G.; Ruini, A.; Molinari, E. |
| Titolo del libro: | Physics of semiconductors : 27th International Conference on the Physics of Semiconductors - ICPS-27 |
| Serie: | |
| Editore: | American Institute of Physics |
| Data di pubblicazione: | 2005 |
| Volume: | 772 |
| Fascicolo: | 1 |
| Pagina iniziale: | 1085 |
| Pagina finale: | 1086 |
| Digital Object Identifier (DOI): | http://dx.doi.org/10.1063/1.1994489 |
| Appare nelle tipologie: | 4.1 Contribution in Conference proceedings |
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http://hdl.handle.net/20.500.11767/15152
