Hi all,
Tomorrow Steven will give group meeting. See below for the title and
abstract.
Best,
Ian
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Speaker: Steven A. Lopez
Title: In Silico high-throughput screening of non-fullerene acceptor
materials for organic photovoltaic devices
Abstract: Organic Photovoltaics (OPVs) have shown a steady growth in
efficiencies since the 1980s, and reported percent conversion efficiencies
(PCEs) up to 12% are reported in multi-junction cells. OPVs are
lightweight, easy to produce, and feature chemically diverse components.
While PCBM is the standard fullerene n-type (acceptor) material, it is not
without limitations, which include limited spectral breadth, small range of
LUMO energies, and relatively high costs of industrial production. We have
undertaken an in silico high-throughput screening utilizing the Harvard
Clean Energy Project to explore the chemical space associated with
non-fullerene acceptor materials. I will present an overview of the Clean
Energy Project and some target molecules identified from a recent screening
project. The initial screening library contains 100,000 perylenediimide,
benzothiazole, diketopyropyrrole, and fluoroanthene-fused imide derivatives.
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