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Supercomputer predicts optical properties of complex hybrid materials


October 8, 2018

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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