Publications

Li-O2 Kinetic Overpotentials: Tafel Plots from Experiment and First-Principles Theory. The Journal of Physical Chemistry Letters, Venkat Viswanathan, Jens K. Nørskov, Angela Speidel, Rouven Scheffler, Sanketh Gowda, Alan C. Luntz. (2013)
Theoretical evidence for low kinetic overpotentials in Li-O2 electrochemistry. The Journal of Chemical Physics, Jens S. Hummelshøj, Alan C. Luntz, Jens K. Nørskov. (2013)
The Catalyst Genome. Angewandte Chemie International Edition, Jens K. Nørskov, Thomas Bligaard. (2013)
Electronic Origin of the Surface Reactivity of Transition-Metal-Doped TiO 2(110). The Journal of Physical Chemistry C, Mónica García-Mota, Aleksandra Vojvodic, Frank Abild-Pedersen, Jens K. Nørskov. (2013)
CO and CO2 Hydrogenation to Methanol Calculated Using the BEEF-vdW Functional. Catalysis Letters, Felix Studt, Frank Abild-Pedersen, Joel B. Varley, Jens K. Nørskov. (2013)
Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters. The Journal of Physical Chemistry Letters, Lin Li, Ask H. Larsen, Nichols A. Romero, Vitali A. Morozov, Christian Glinsvad, Frank Abild-Pedersen, Jeff Greeley, Karsten W. Jacobsen, Jens K. Nørskov. (2012)
The Computational Materials Repository. Computing in Science & Engineering, David D. Landis, Jens S. Hummelshøj, Svetlozar Nestorov, Jeff Greeley, Marcin Dułak, Thomas Bligaard, Jens K. Nørskov, Karsten W. Jacobsen. (2012)
Finite-Size Effects in O and CO Adsorption for the Late Transition Metals. Topics in Catalysis, Andrew A. Peterson, Lars C. Grabow, Thomas P. Brennan, Bonggeun Shong, Chinchun Ooi, Di M. Wu, Christina W. Li, Amit Kushwaha, Andrew J. Medford, Felix Mbuga, Lin Li, Jens K. Nørskov. (2012)
Energetics of Oxygen Adatoms, Hydroxyl Species and Water Dissociation on Pt(111). The Journal of Physical Chemistry C, Eric M. Karp, Charles T. Campbell, Felix Studt, Frank Abild-Pedersen, Jens K. Nørskov. (2012)
Unifying the 2e- and 4e- Reduction of Oxygen on Metal Surfaces. The Journal of Physical Chemistry Letters, Venkat Viswanathan, Heine A. Hansen, Jan Rossmeisl, Jens K. Nørskov. (2012)
Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides. The Journal of Physical Chemistry C, Mónica García-Mota, Michal Bajdich, Venkat Viswanathan, Aleksandra Vojvodic, Alexis T. Bell, Jens K. Nørskov. (2012)
Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis. Physical Chemistry Chemical Physics, Hai-Yan Su, Yelena Gorlin, Isabela C. Man, Federico Calle-Vallejo, Jens K. Nørskov, Thomas F. Jaramillo, Jan Rossmeisl. (2012)
Modeling van der Waals Interactions in Zeolites with Periodic DFT: Physisorption of n-Alkanes in ZSM-22. Catalysis Letters, Rasmus Brogaard, Poul Georg Moses, Jens K. Nørskov. (2012)
CO hydrogenation to methanol on Cu-Ni catalysts: Theory and experiment. Journal of Catalysis, Felix Studt, Frank Abild-Pedersen, Qiongxiao Wu, Anker D. Jensen, Burcin Temel, Jan-Dierk Grunwaldt, Jens K. Nørskov. (2012)
Evidence of Scrambling over Ruthenium-based Catalysts in Supercritical-water Gasification. ChemCatChem, Andrew A. Peterson, Marian Dreher, Jörg Wambach, Maarten Nachtegaal, Døren Dahl, Jens K. Nørskov, Frédéric Vogel. (2012)
Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces. ACS Catalysis, Venkat Viswanathan, Heine A. Hansen, Jan Rossmeisl, Jens K. Nørskov. (2012)
Application of a new informatics tool in heterogeneous catalysis: Analysis of methanol dehydrogenation on transition metal catalysts for the production of anhydrous formaldehyde. Journal of Catalysis, Adam C. Lausche, Jens S. Hummelshøj, Frank Abild-Pedersen, Felix Studt, Jens K. Nørskov. (2012)
Balance of Nanostructure and Bimetallic Interactions in Pt Model Fuel Cell Catalysts: In Situ XAS and DFT Study. Journal of the American Chemical Society, Daniel Friebel, Venkat Viswanathan, Daniel J. Miller, Toyli Anniyev, Hirohito Ogasawara, Ask H. Larsen, Christopher P. O’Grady,, Jens K. Nørskov, Anders Nilsson. (2012)
Elementary steps of syngas reactions on Mo2C(001): Adsorption thermochemistry and bond dissociation. Journal of Catalysis, Andrew J. Medford, Aleksandra Vojvodic, Felix Studt, Frank Abild-Pedersen, Jens K. Nørskov. (2012)
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation. Physical Review B, Jess Wellendorff, Keld T. Lundgaard, Andreas Møgelhøj, Vivien Petzold, David D. Landis, Jens K. Nørskov, Thomas Bligaard, Karsten W. Jacobsen. (2012)