Hi everyone,
Hope everyone had a good break. Tomorrow Taka will be giving group meeting
in the Div room at 2:30pm. Please see below for his title and abstract.
See you all there!
Jennifer
------------------------------------------------
"How to separate an electron-hole pair? Toward a simulation of
charge photogeneration"
Organic solar cells have attracted widespread interest in recent years,
yet, it is still controversial as to how exciton dissociates into free
charge careers at a donor/acceptor interface. In this talk, I will present
my recent work on simulating quantum dynamics of a
charge photogeneration process. I will introduce a tight-binding
Hamiltonian which can treatFrenkel exciton and charge-transfer states on
the same footing and explain how to parameterize it from quantum-chemistry
calculations. I will then show preliminary results
on dinaphtho[2,3-b:2'3'-f]thieno[3,3-b]-thiophene (DNTT), p-type organic
semiconductor. Combing with a stochastic Schrodinger equation, the model is
applied to study relaxation dynamics of a charge-transfer state in
the DNTT cluster. Finally, I will discuss a next step to the DNTT crystal.
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