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Discovering the Future of Solar Energy with Computational Studies

Generated with AI

Aalto University CEST group, in collaboration with researchers from the University of Tampere and Xi'an University, used computational methods to study mixed-metal chalcohalides for photovoltaic applications. Through Density Functional Theory (DFT), they identified 12 promising materials out of 27 analyzed, with 9 being entirely new discoveries. These materials could offer greater stability and reduced toxicity over existing solutions, addressing current challenges in solar cell commercialization. DFT's computational approach allows for more rapid materials discovery compared to traditional methods.

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