title: Combining theory and experiment in electrocatalysis: Insights into materials design.
abstract: Electrocatalysis plays a central role in clean energy conversion, enabling a number of sustainable processes for future technologies. This review discusses design strategies for state-of-the-art heterogeneous electrocatalysts and associated materials for several different electrochemical transformations involving water, hydrogen, and oxygen, using theory as a means to rationalize catalyst performance. By examining the common principles that govern catalysis for different electrochemical reactions, we describe a systematic framework that clarifies trends in catalyzing these reactions, serving as a guide to new catalyst development while highlighting key gaps that need to be addressed. We conclude by extending this framework to emerging clean energy reactions such as hydrogen peroxide production, carbon dioxide reduction, and nitrogen reduction, where the development of improved catalysts could allow for the sustainable production of a broad range of fuels and chemicals.
authors.affiliation: SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA 94305, USA.|SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.|Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A*STAR), Innovis, 138634 Singapore.
authors.forename: Zhi Wei
authors.initials: ZW
authors.lastname: Seh
authors.affiliation: SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA 94305, USA.|SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.|Department of Physics, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.
authors.forename: Jakob
authors.initials: J
authors.lastname: Kibsgaard
authors.affiliation: SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA 94305, USA.|SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.
authors.forename: Colin F
authors.initials: CF
authors.lastname: Dickens
authors.affiliation: Department of Physics, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.
authors.forename: Ib
authors.initials: I
authors.lastname: Chorkendorff
authors.affiliation: SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA 94305, USA.|SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.
authors.forename: Jens K
authors.initials: JK
authors.lastname: Nørskov
authors.affiliation: SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA 94305, USA. jaramillo@stanford.edu.|SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA.
authors.forename: Thomas F
authors.initials: TF
authors.lastname: Jaramillo