We study poly(para-phenylene-vinylene) PPV in a pi-stacked crystalline con guration pound, through ab initio density functional techniques for the electronic structure and optical properties. We End 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 / M. J., Caldas; G., Bussi; Ruini, Alice; Molinari, Elisa. - ELETTRONICO. - 772:(2005), pp. 1085-1086. (Intervento presentato al convegno 27th International Conference on the Physics of Semiconductors (ICPS-27) tenutosi a Flagstaff, AZ, usa nel 26-30 Luglio 2004) [10.1063/1.1994489].

Light-emitting polymers: a first-principles analysis of singlet-exciton harvesting in PPV

RUINI, Alice;MOLINARI, Elisa
2005

Abstract

We study poly(para-phenylene-vinylene) PPV in a pi-stacked crystalline con guration pound, through ab initio density functional techniques for the electronic structure and optical properties. We End 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.
2005
27th International Conference on the Physics of Semiconductors (ICPS-27)
Flagstaff, AZ, usa
26-30 Luglio 2004
772
1085
1086
M. J., Caldas; G., Bussi; Ruini, Alice; Molinari, Elisa
Light-emitting polymers: a first-principles analysis of singlet-exciton harvesting in PPV / M. J., Caldas; G., Bussi; Ruini, Alice; Molinari, Elisa. - ELETTRONICO. - 772:(2005), pp. 1085-1086. (Intervento presentato al convegno 27th International Conference on the Physics of Semiconductors (ICPS-27) tenutosi a Flagstaff, AZ, usa nel 26-30 Luglio 2004) [10.1063/1.1994489].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/819489
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