Algorithms show how catalysts turn propane into propylene ^{CEFR A2}

Researchers at the University of Rochester created algorithms to explain how propane turns into propylene. Propylene is a starting material for many everyday products, such as plastic squeeze bottles and outdoor furniture. A 2021 study in Science showed that chemists can use tandem nanoscale catalysts to combine several process steps into a single reaction, which can increase yield and reduce cost.

The new study, published in the Journal of the American Chemical Society, reports algorithms that identify atomic features that drive the chemistry. The team looked at reactions where materials exist in different states, like metallic and oxide phases, and used computer screening to reduce the many atomic arrangements. The researchers found that oxide grows selectively around defective metal sites and that this helps keep the catalyst working.