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Supercomputer predicts optical properties of complex hybrid materials


October 8, 2018

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Materials scientists at Duke University computationally predicted the electrical and optical properties of semiconductors made from extended organic molecules sandwiched by inorganic structures. These types of so-called layered "hybrid organic-inorganic perovskites" -- or HOIPs -- are popular targets for light-based devices such as solar cells and light-emitting diodes. The ability to build accurate models of these materials atom-by-atom will allow researchers to explore new material designs.Full Story

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Duke University

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