When 12:00 PM - 2:00 PM Jan 20, 2016
Where GM Conference Room, Lurie Engineering Center
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Exploring Interfacial Phenomena In Photovoltaic Materials Structures Using First- Principles Calculations And Beyond

Michael Waters
Thesis Defense

John Kieffer, advisor.


Photovoltaics are a large part of our global strategy to reduce carbon dioxide emissions. The strict processing requirements of silicon are viewed as economic and technical barriers to larger scale deployment of solar energy. Through ab intio modeling, we explore subphthalocyanine derivatives as possible organic photovoltaic materials. Many of these materials have photocurrents limited by dissociation of bound excited states. We proceeded to examine the effects of interfacial electrostatics in a semi-classical manner on these excited states for both an organic interface and a hybrid organic-inorganic interface. The difficulties in addressing the hybrid interface with the semi-classical model lead us to creating a quantum mechanical model based on the effective mass Schrödinger equation. We observe that with hybrid organic/inorganic interfaces, there are two regimes of bound excited states.