As part of the Computational Materials Physics group of Shuxia Tao, Sofia's work revolves around metal halide perovskites. Specifically, she makes use of computational methods, in order to study the surfaces and interfaces of materials that are present in perovskite devices. The goal is to reveal the physicochemical processes that govern the operation of perovskite devices and to find ways to improve them.
To harvest the energy that comes from something as big as the sun, we need to start from something as small as atoms...
Sofia Apergi received her Master diploma in 2019, from the School of Applied Mathematical and Physical Sciences at the National Technical University of Athens in Greece. Her diploma thesis focused on the computational studies of materials for photovoltaic applications using density functional theory (DFT). She joined TU/e in September 2019 and she is currently working on the physics and chemistry of the interfaces between perovskite absorbers and charge transport layers using DFT.
Decomposition of Organic Perovskite Precursors on MoO3ACS Applied Materials and Interfaces (2022)
Diammonium-Mediated Perovskite Film Formation for High-Luminescence Red Perovskite Light-Emitting DiodesAdvanced Materials (2022)
Multifunctional molecule engineered SnO2 for perovskite solar cells with high efficiency and reduced lead leakageSolar RRL (2021)
Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight BindingJournal of Chemical Information and Modeling (2021)
Phenylalkylammonium passivation enables perovskite light emitting diodes with record high-radiance operational lifetime:the chain length mattersNature Communications (2021)
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