Simulation method identifies materials for better batteries

Researchers from the University of Cambridge have devised a new simulation technique which reliably predicts the structure and behaviour of different materials, in order to accelerate the development of next-generation batteries for a wide range of applications. What happens in a battery is complicated, and we need to work out what the model compounds should be - Andrew Morris The researchers, from the Cavendish Laboratory and the Department of Chemistry, are devising new methods for understanding the complex interactions that take place within lithium-ion batteries, in order to identify and develop the best materials to make better batteries. Using software to predict the characteristics of materials before they're synthesised in order to guide and interpret experiments, the researchers successfully predicted the structures of a series of lithium silicides, an important step in understanding batteries made of silicon, and have also predicted new structures for a battery based on germanium. Details are published in the journal Physical Review B . The lithium-ion battery market is large and growing rapidly. However, for many next-generation applications, such as longer-range electric vehicles and longer-lived consumer electronics, batteries which are smaller, more efficient and charge faster are needed. Silicon has been proposed as a replacement for carbon in battery anodes, or positive electrodes, for the past 20 years.