Designing new materials by controlling band

摘要

Northwestern University's James Rondinelli, assistant professor of materials science and engineering in the McCormick School of Engineering, uses quantum mechanical calculations to predict and design the properties of new materials by working at the atom-level. His group's latest achievement is the discovery of a novel way to control the electronic band gap in complex oxide materials without changing the material's overall composition. The finding could potentially lead to better electro-optical devices, including more absorbent solar cells, and the improved conversion of sunlight into chemical fuels through photoelectrocatalysis.