A new web application (CatApp) allows access to systematic data for elementary surface reactions. These data are invaluable for the development and optimization of new catalysts and are useful to researchers both in academia and industry.
In the new section “And Finally” in Angewandte Chemie, Jens Nørskov, Stanford University and the SUNCAT Center for Interface Science and Catalysis, both USA, and his colleagues describe how CatApp can be used to access data for reactions of molecules with up to three C, N, or O atoms on a variety of transition-metal surfaces. Researchers simply choose a surface and an elementary reaction and CatApp produces a reaction path and gives the activation energy. The application can also be used on portable devices that have a touch interface.
- CatApp: A Web Application for Surface Chemistry and Heterogeneous Catalysis,
J. S. Hummelshøj, F. Abild-Pedersen, F. Studt, T. Bligaard, J. K. Nørskov,
Angew. Chem. Int. Ed. 2012, 51(1), 272–274.
- J. S. Hummelshøj, F. Abild-Pedersen, F. Studt, T. Bligaard, J. K. Nørskov,
Angew. Chem. 2012, 51(1), 278–280.