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SUMMARY:Charge Transfer Dynamics\, Excited State Energetics\, and Organic 
 Photovoltaics
DTSTART:20160615T163000
DTEND:20160615T173000
DTSTAMP:20260414T105938Z
UID:51141bbd77dda592191258944d387418d7be72a13793b4d0524d348a
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Nandini Ananth\nCornell University\nChemistry and Chemi
 cal Biology\nAddressing the challenge of designing efficient organic photo
 voltaics requires a detailed understanding of both the low-lying electron
 ic excited states of molecular systems and the coupled nuclear-electron dy
 namics that drive exciton diffusion and dissociation. In the first part o
 f this talk\, we focus on our work towards developing novel path-integral
  based methods for approximate quantum dynamics that employ only classical
  trajectories to simulate condensed phase charge transfer reactions. In t
 he second part\, we turn our attention to Singlet Fission (SF)\, a phenom
 enon that may hold the key to increasing the efficiency of organic solar 
 cells. In SF\, a singlet exciton formed by photon absorption spontaneously
  splits to form to two longer-lived triplet excitons that can\, in turn\,
  dissociate to generate two free charges for every photon absorbed. Using
  accurate electronic structure to characterize excited states and normal 
 mode analysis to identify important molecular vibrational modes\, we unco
 ver two distinct mechanistic pathways for ultrafast SF in pentacenebased 
 materials and we discuss the implications for materials design.
LOCATION:CH G1 495 https://plan.epfl.ch/?room==CH%20G1%20495
STATUS:CONFIRMED
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