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Thursday, April 30, 2015
2:00 PM - 3:00 PM
CNLS Conference Room (TA-3, Bldg 1690)

Postdoc Seminar

Ab initio Modeling of Organometallic Halide Perovskites for Photovoltaic Applications

Amanda Neukirch
CNLS/T-1

The need for an affordable, clean, and plentiful source of energy has produced large amounts of research in a variety of solution processed organic and hybrid organic-inorganic solar cells. A relative newcomer to the field of solution processed photovoltaics is the lead halide perovskite solar cell. In the past 5 years, the efficiencies of devices made from this material have increased by a factor of 5 up to 20%. Despite the rapid development of organic-inorganic perovskite solar cells, a thorough understanding of the fundamental photo physical processes driving the high performance of these devices is not well understood. I am using state-of-the-art ab initio computational techniques in order to characterize the properties at the interface of perovskite devices in order to aide in materials design and device engineering. I will present an in-depth analysis of the electronic structure of a mixed-halide perovskite that was able to determine the role Cl in MAPbI3-xClx. From there I will discuss the charge carrier dynamics and photo-physical properties that take place in the solar devices.

Host: Jeffrey D. Hyman