title: Density functional theory in surface chemistry and catalysis.
abstract: Recent advances in the understanding of reactivity trends for chemistry at transition-metal surfaces have enabled in silico design of heterogeneous catalysts in a few cases. The current status of the field is discussed with an emphasis on the role of coupling theory and experiment and future challenges.
authors.affiliation: SUNCAT - Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA. norskov@stanford.edu
authors.forename: Jens K
authors.initials: JK
authors.lastname: Nørskov
authors.forename: Frank
authors.initials: F
authors.lastname: Abild-Pedersen
authors.forename: Felix
authors.initials: F
authors.lastname: Studt
authors.forename: Thomas
authors.initials: T
authors.lastname: Bligaard
mesh_terms: D002384:Catalysis; D002627:Chemistry, Physical / Q000379:methods*; D007700:Kinetics; D008670:Metals / Q000737:chemistry*; D008956:Models, Chemical; D013499:Surface Properties
chemical_list: D008670:Metals