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SUMMARY:Multi-scale modelling of organic photovoltaic materials: from mole
 cules to devices - Prof. Jenny Nelson\, Imperial College\, London
DTSTART:20120626T133000Z
DTEND:20120626T143000Z
UID:TALK38784@talks.cam.ac.uk
CONTACT:Jenny Clark
DESCRIPTION:The electrical response of organic donor-acceptor heterojuncti
 on solar cells is not readily described by conventional semiconductor devi
 ce models. In particular\, the competition between charge collection and c
 harge recombination is influenced by the disordered nature of charge trans
 port and the heterogeneous microstructure of the active layer. In order to
  select and design materials with potential for higher performance\, metho
 ds are needed to help understand first\, how charge dynamics are related t
 o the chemical and physical structure of the component materials and secon
 d\, how the dispersive nature of the charge dynamics influences the curren
 t-voltage response of a photovoltaic device. We use a multi-scale modellin
 g approach to simulate charge dynamics in organic electronic materials\, i
 ncorporating molecular modelling of the microstructure of organic films\, 
 quantum chemical calculation of intermolecular charge transfer rates and k
 inetic Monte Carlo simulation of current transport and recombination. The 
 methods are validated by a range of experimental measurements. Moreover\, 
 we have adapted continuum models of device behaviour to incorporate disord
 er in the electronic structure via a density-of-states function based on t
 he microscopic studies. We will show how such an approach can be used to h
 elp explain the opto-electrical behaviour of organic photovoltaic material
 s and devices.
LOCATION:Kapitza Building Seminar Room\, Cavendish Laboratory\, Department
  of Physics
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