Publications | Center for Interface Science and Catalysis

Electronic Structure Effects in Transition Metal Surface Chemistry. Topics in Catalysis, Aleksandra Vojvodic, Jens K. Nørskov, Frank Abild-Pedersen. (2014)

In silico search for novel methane steam reforming catalysts. New Journal of Physics, Yue Xu, Adam C Lausche, Shengguang Wang, Tuhin S Khan, Frank Abild-Pedersen, Felix Studt, Jens K Nørskov, Thomas Bligaard. (2013)

On the effect of coverage-dependent adsorbate-adsorbate interactions for CO methanation on transition metal surfaces. Journal of Catalysis, Adam C. Lausche, Andrew J. Medford, Tuhin S. Khan, Yue Xu, Thomas Bligaard, Frank Abild-Pedersen, Jens K. Nørskov, Felix Studt . (2013)

Activity and Selectivity Trends in Synthesis Gas Conversion to Higher Alcohols. Topics in Catalysis, Andrew J. Medford, Adam C. Lausche, Frank Abild-Pedersen, Burcin Temel, Niels C. Schjødt, Jens K. Nørskov, Felix Studt. (2014)

Stability of Pt-Modified Cu(111) in the Presence of Oxygen and Its Implication on the Overall Electronic Structure. The Journal of Physical Chemistry C, Henrik Öberg, Toyli Anniyev, Aleksandra Vojvodic, Sarp Kaya, Hirohito Ogasawara, Daniel Friebel, Daniel J. Miller, Dennis Nordlund, Uwe Bergmann, Mathias P. Ljungberg, Frank Abild-Pedersen, Anders Nilsson, Lars G. M. Pettersson. (2013)

Interlayer Carbon Bond Formation Induced by Hydrogen Adsorption in Few-Layer Supported Graphene. Physical Review Letters, Srivats Rajasekaran, Frank Abild-Pedersen, Hirohito Ogasawara, Anders Nilsson, Sarp Kaya. (2013)

Analysis of sulfur-induced selectivity changes for anhydrous methanol dehydrogenation on Ni(100) surfaces. Surface Science, Adam C. Lausche, Frank Abild-Pedersen, Robert J. Madix, Jens K. Nørskov, Felix Studt. (2013)

Thermionic current densities from first principles. The Journal of Chemical Physics, Johannes Voss, Aleksandra Vojvodic, Sharon H. Chou, Roger T. Howe, Igor Bargatin, Frank Abild-Pedersen. (2013)

Comment on "Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications". The Journal of Physical Chemistry C, Frank Abild-Pedersen, Anders Nilsson, Jens K. Nørskov. (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)

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)

An orbital-overlap model for minimal work functions of cesiated metal surfaces. Journal of Physics: Condensed Matter, Sharon H Chou, Johannes Voss, Igor Bargatin, Aleksandra Vojvodic, Roger T Howe, Frank Abild-Pedersen. (2012)

Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces. ChemCatChem, Anja Toftelund, Isabela C. Man, Heine A. Hansen, Frank Abild-Pedersen, Thomas Bligaard, Jan Rossmeisl, Felix Studt. (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)

Reversible graphene-metal contact through hydrogenation. Physical Review B, Srivats Rajasekaran, Sarp Kaya, Frank Abild-Pedersen, Toyli Anniyev, Fan Yang, Dario Stacchiola, Hirohito Ogasawara, Anders Nilsson. (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)

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)

The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts. Science, Malte Behrens, Felix Studt, Igor Kasatkin, Stefanie Kühl, Michael Hävecker, Frank Abild-Pedersen, Stefan Zander, Frank Girgsdies, Patrick Kurr, Benjamin-Louis Kniep, Michael Tovar, Richard W. Fischer, Jens K. Nørskov, Robert Schlögl. (2012)