CIGS Technology Advancement via Fundamental Modeling of Defect/Impurity Interactions

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Copper indium gallium selenide is a promising material for high performance, low-cost thin-film photovoltaics. In order to improve conversion efficiency and lower manufacturing costs, researchers need to better understand interactions between mineral impurities and native defects, as well as how both couple to alloy ordering and phase separation within these cells. This team will use density functional theory calculations to predict distributions of defects and defect complexes, estimate reaction and diffusion rates, and perform simulations to predict alloy, impurity, and defect ordering. The team will test the resulting model and process in order to optimize device performance, reliability, and cost.

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