Designing better catalysts using simple chemical concepts

Catalytic nanoparticles contain various sites: for instance, the sites C (center of a hexagonal facet; nine neighbors marked in yellow), E (edge between two hexagonal facets; seven neighbors in green) and K (kink, at the corner between three facets; six neighbors in purple). Atoms at edges and terraces appear in light and dark blue, respectively. Each site contributes differently to the total catalytic activity by virtue of its number of neighbors. Catalysis is at the very heart of modern society. Using a catalyst, one can optimize the energy input or output of chemical reactions and drive them towards desired products. This simple idea has empowered humans to transform the world. For instance, the European chemical industry, which largely relies on catalytic processes, generates an annual trade surplus of '50 billion (1).