Catalyst Design from First Principles: Influence of Electronic and Atomic Structure on Reactivity

Step into the world of catalyst design and discover how scientists use first-principles methods to engineer better catalysts for chemical reactions. Watch a short video on how catalysts speed up reactions, explore how an electronic structure method – Density Functional Theory – can be used to obtain useful information on reactions at the electronic level, and build crystal surface structures with atom models to see how structure controls reactivity. Learn how we design catalysts to convert methane into more valuable chemicals.