A team of scientists at Washington University in St. Louis has found what may be a more stable, less toxic semiconductor for solar applications using a novel double perovskite oxide, discovered through data analytics and quantum-mechanical calculations.
An atomic model of KBaTeBiO6 (left), scanning transmission electron micrograph showing the atomic structure of KBaTeBiO6, along with snapshot of the synthesized powder (right). Credit: WUSTL
Rohan Mishra, assistant professor of mechanical engineering & materials science in the McKelvey School of Engineering, led an interdisciplinary, international team that discovered the new semiconductor, made up of potassium, barium, tellurium, bismuth and oxygen (KBaTeBiO6). The lead-free double perovskite oxide was one of an initial 30,000 potential bismuth-based oxides. Of those 30,000, only about 25 were known compounds.