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DASTI

Publications for funding source: DASTI
Displaying 1 - 22 of 22
On the pH dependence of electrochemical proton transfer barriers. Jan Rossmeisl, Karen Chan, Egill Skulason, Morten Björketun, Vladimir Tripkovic. Catalysis Today. 2016
Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite. Dominik B. Rasmussen, Jakob M. Christensen, Burcin Temel, Felix Studt, Poul Georg Moses, Jan Rossmeisl, Anders Riisager, Anker D. Jensen. Angewandte Chemie International Edition. 2015
Influence of Adsorbed Water on the Oxygen Evolution Reaction on Oxides. Samira Siahrostami, Aleksandra Vojvodic. The Journal of Physical Chemistry C. 2015
Genetic Algorithm Procreation Operators for Alloy Nanoparticle Catalysts. Steen Lysgaard, David D. Landis, Thomas Bligaard, Tejs Vegge. Topics in Catalysis. 2014
Pt Skin Versus Pt Skeleton Structures of Pt3Sc as Electrocatalysts for Oxygen Reduction. Tobias P. Johansson, Elisabeth T. Ulrikkeholm, Patricia Hernandez-Fernandez, Paolo Malacrida, Heine A. Hansen, Aliaksandr S. Bandarenka, Jens K. Nørskov, Jan Rossmeisl, Ifan E. L. Stephens, Ib Chorkendorff. Topics in Catalysis. 2013
DFT based study of transition metal nano-clusters for electrochemical NH 3 production. Jakob G. Howalt, Thomas Bligaard, Jan Rossmeisl, Tejs Vegge. Physical Chemistry Chemical Physics. 2013
First-Principles Calculations of Fischer-Tropsch Processes Catalyzed by Nitrogenase Enzymes. Joel B. Varley, Jens K. Nørskov. ChemCatChem. 2013
First principles investigation of zinc-anode dissolution in zinc–air batteries. Samira Siahrostami, Vladimir Tripković, Keld T. Lundgaard, Kristian E. Jensen, Heine A. Hansen, Jens S. Hummelshøj, Jón S. G. Mýrdal, Tejs Vegge, Jens K. Nørskov, Jan Rossmeisl. Physical Chemistry Chemical Physics. 2013
The Computational Materials Repository. David D. Landis, Jens S. Hummelshøj, Svetlozar Nestorov, Jeff Greeley, Marcin Dułak, Thomas Bligaard, Jens K. Nørskov, Karsten W. Jacobsen. Computing in Science & Engineering. 2012
Conventional and acoustic surface plasmons on noble metal surfaces: A time-dependent density functional theory study. Jun Yan, Karsten W. Jacobsen, Kristian S. Thygesen. Physical Review B. 2012
Evidence of Scrambling over Ruthenium-based Catalysts in Supercritical-water Gasification. Andrew A. Peterson, Marian Dreher, Jörg Wambach, Maarten Nachtegaal, Døren Dahl, Jens K. Nørskov, Frédéric Vogel. ChemCatChem. 2012
Optical properties of bulk semiconductors and graphene/boron-nitride: The Bethe-Salpeter equation with derivative discontinuity-corrected DFT energies. Jun Yan, Karsten W. Jacobsen, Kristian S. Thygesen. Physical Review B. 2012
Search Directions for Direct H2O2 Synthesis Catalysts Starting from Au12 Nanoclusters. Lars C. Grabow, Britt Hvolbæk, Hanne Falsig, Jens K. Nørskov. Topics in Catalysis. 2012
Photoelectrocatalysis and electrocatalysis on silicon electrodes decorated with cubane-like clusters. Yidong Hou, Billie L. Abrams, Peter C. K. Vesborg, Mårten E. Björketun, Konrad Herbst, Lone Bech, Brian Seger, Thomas Pedersen, Ole Hansen , Jan Rossmeisl, Søren Dahl, Jens K. Nørskov, Ib Chorkendorff. Journal of Photonics for Energy. 2012
Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts. Andrew A. Peterson, Jens K. Nørskov. The Journal of Physical Chemistry Letters. 2012
Solar hydrogen production with semiconductor metal oxides : new directions in experiment and theory. Álvaro Valdés, Jeremie Brillet, Michael Grätzel, Hildur Gudmundsdóttir, Heine A. Hansen, Hannes Jónsson, Peter Klüpfel, Geert-Jan Kroes, Florian Le Formal, Isabela C. Man, Rafael S. Martins, Jens K. Nørskov, Jan Rossmeisl, Kevin Sivula, Aleksandra Vojvodic, Michael Zäch. Physical Chemistry Chemical Physics. 2012
The importance of surface morphology in controlling the selectivity of polycrystalline copper for CO2 electroreduction. Wei Tang, Andrew A. Peterson, Ana Sofia Varela, Zarko P. Jovanov, Lone Bech, William J. Durand, Søren Dahl, Jens K. Nørskov, Ib Chorkendorff. Physical Chemistry Chemical Physics. 2012
Electronic shell structure and chemisorption on gold nanoparticles. Ask H. Larsen, Jesper Kleis, Kristian S. Thygesen, Jens K. Nørskov, Karsten W. Jacobsen. Physical Review B. 2011
Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition‐Metal Substitution. Mónica García-Mota, Aleksandra Vojvodic, Horia Metiu, Isabela C. Man, Hai-Yan Su, Jan Rossmeisl, Jens K. Nørskov. ChemCatChem. 2011
Bioinspired molecular co-catalysts bonded to a silicon photocathode for solar hydrogen evolution. Yidong Hou, Billie L. Abrams, Peter C. K. Vesborg, Mårten E. Björketun, Konrad Herbst, Lone Bech, Alessandro M. Setti, Christian D. Damsgaard, Thomas Pedersen, Ole Hansen, Jan Rossmeisl, Søren Dahl, Jens K. Nørskov, Ib Chorkendorff. Nature materials. 2011
The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations. Vladimir Tripković, Egill Skúlason, Samira Siahrostami, Jens K. Nørskov, Jan Rossmeisl. Electrochimica Acta. 2010
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations. Egill Skúlason, Vladimir Tripkovic, Mårten E. Björketun, Sigrídur Gudmundsdóttir, Gustav Karlberg, Jan Rossmeisl, Thomas Bligaard, Hannes Jónsson, Jens K. Nørskov. The Journal of Physical Chemistry C. 2010