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Date Permissions Signed
Date of Award
Department or Program Affiliation
Master of Science (MS)
Berger, Robert F.
Borda, Emily J.
There is an increasing need for alternative energy sources that reduce the global reliance on fossil fuels. Since their demonstration in 2009, perovskite solar cells (based on compounds with the formula ABX3, such as CH3NH3PbI3) have become an extremely promising and active research area. Still, there are obstacles to the widespread use of these technologies, including their instability and the environmental impacts of lead. It is therefore important to find ways to modify and tune the structure and properties of perovskites to optimize their stability and photovoltaic performance. This research explores a family of perovskite relatives known as Ruddlesden-Popper (RP) phases. Density functional theory (DFT) calculations are used to study the structural energetics and electronic structure of RP phases varying in composition (A=Rb, Cs; B=Ge, Sn, Pb; X=Cl, Br, I), structural distortion, and biaxial strain. Among the goals are to explore and understand how strain can be used as a tool for stabilizing RP phases, and to make concrete predictions for routes to tune the structure and properties of perovskite photovoltaic materials.
perovskite, cesium, rubidium, germanium, halides, tin, lead, Ruddlesden-Popper, tuning, dft
Western Washington University
Subject – LCSH
Perovskite--Research; Photovoltaic cells--Research
Copying of this thesis in whole or in part is allowable only for scholarly purposes. It is understood, however, that any copying or publication of this document for commercial purposes, or for financial gain, shall not be allowed without the author’s written permission.
Tyler, Britt A., "The Atomic and Electronic Structure and Tunability of Ruddlesden-Popper Phases for Photovoltaic Applications" (2019). WWU Graduate School Collection. 892.