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.
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