Simulation of next generation battery materials brings results

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Researchers from the University of Cambridge have devised a simulation technique which allows the structure and behaviour of different materials to be predicted in order to accelerate the development of next generation batteries.

Using the approach, researchers from the Cavendish Laboratory and the Department of Chemistry are using software to predict the characteristics of materials before they have been synthesised in order to guide and interpret experiments. Already, the team says it has successfully predicted the structures of a series of lithium silicides and new structures for a battery based on germanium. The various structures which the researchers predicted for lithium silicide have been shown to be stable in physical experiments and further experiments are currently underway in the Department of Chemistry to determine whether the same is true for the structures predicted for germanium and to determine the roles these structures play on battery cycling. "It's always exciting when we're able to successfully predict something, but it's especially gratifying to predict something that's really useful," said Dr Andrew Morris of the University's Cavendish Laboratory.