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Publications

Theoretical Insight into the Trends that Guide the Electrochemical Reduction of Carbon Dioxide to Formic Acid. ChemSusChem, J. S. Yoo, R. Christensen, T. Vegge, J. K. Nørskov, F. Studt. (2016)
Automated Discovery and Construction of Surface Phase Diagrams Using Machine Learning. Journal of Physical Chemistry Letters, Z. W. Ulissi, A. R. Singh, C. Tsai, J. K. Nørskov. (2016)
Activating and Optimizing MoS2 Basal Planes for Hydrogen Evolution through the Formation of Strained Sulfur Vacancies. Nature Materials, Hong Li, Charlie Tsai, Ai Leen Koh, Alex W. Contryman, Alex H. Fragapane, Jiheng Zhao, Hyun Soo Han, Hari C. Manoharan, Frank Abild-Pedersen, Jens K. Nørskov, Xiaolin Zheng. (2016)
Intrinsic Selectivity and Structure Sensitivity of Rhodium Catalysts for C2+ Oxygenate Production. Journal of the American Chemical Society, Nuoya Yang, Andrew J. Medford, Xinyan Liu, Felix Studt, Thomas Bligaard, Stacey F. Bent, Jens K. Nørskov. (2016)
Mechanistic insights into nitrogen fixation by nitrogenase enzymes. Physical Chemistry Chemical Physics, Joel B. Varley, Ying Wang, Karen Chan, Felix Studt, Jens K. Nørskov. (2015)
Effect of Boron Modifications of Palladium Catalysts for the Production of Hydrogen from Formic Acid. ACS Catalysis, Jong Suk Yoo, Zhi-Jian Zhao, Jens K. Nørskov, Felix Studt. (2015)
Al-Air Batteries: Fundamental Thermodynamic Limitations from First-Principles Theory. Journal of Physical Chemistry Letters, Leanne D. Chen, Jens K. Nørskov, Alan C. Luntz. (2015)
Optical laser-induced CO desorption from Ru(0001) monitored with a free-electron X-ray laser: DFT prediction and X-ray confirmation of a precursor state. Surface Science, Henrik Öberg, Jürgen Gladh, Martina Dell'Angela, Toyli Anniyev, Martin Beye, Ryan Coffee, Alexander Föhlisch, Tetsuo Katayama, Sarp Kaya, Jerry LaRue, Andreas Møgelhøj, Dennis Nordlund, Hirohito Ogasawara, Wolfgang F. Schlotter, Jonas A. Sellberg, Florian Sorgenfrei, Joshua J. Turner, Martin Wolf, Wilfried Wurth, Henrik Östrom, Anders Nilsson, Jens K. Nørskov, Lars G.M. Pettersson. (2015)
A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals. Surface Science, Jess Wellendorff, Trent L. Silbaugh, Delfina Garcia-Pintos, Jens K. Nørskov, Thomas Bligaard, Felix Studt, Charles T. Campbell. (2015)
Surface Tension Effects on the Reactivity of Metal Nanoparticles. The Journal of Physical Chemistry Letters, Lin Li, Frank Abild-Pedersen, Jeff Greeley, Jens K. Nørskov. (2015)
Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends. Energy & Environmental Science, Jakob Kibsgaard, Charlie Tsai, Karen Chan, Jesse D. Benck, Jens K. Nørskov, Frank Abild-Pedersen, Thomas F. Jaramillo. (2015)
Theoretical Insights into the Hydrogen Evolution Activity of Layered Transition Metal Dichalcogenides. Surface Science, Charlie Tsai, Karen Chan, Jens K. Nørskov, Frank Abild-Pedersen. (2015)
Theoretical Limits to the Anode Potential in Aqueous Mg-Air Batteries. Journal of Physical Chemistry C, Leanne D. Chen, Jens K. Nørskov, Alan C. Luntz. (2015)
Theoretical Study of EMIM+ Adsorption on Silver Electrode Surfaces. Journal of Physical Chemistry C, Makoto Urushihara, Karen Chan, Chuan Shi, Jens K. Nørskov. (2015)
Screened Hybrid Exact Exchange Correction Scheme for Adsorption Energies on Perovskite Oxides. The Journal of Physical Chemistry C, Elton J. G. Santos, Jens K. Nørskov, Aleksandra Vojvodic. (2015)
Electrochemical Barriers Made Simple. Journal of Physical Chemistry Letters, Karen Chan, Jens K. Nørskov. (2015)
The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations. ChemSusChem, Joseph H. Montoya, Charlie Tsai, Aleksandra Vojvodic, Jens K. Nørskov. (2015)
From the Sabatier Principle to a Predictive Theory of Transition Metal Heterogeneous Catalysis. Journal of Cataysis, Andrew J. Medford, Aleksandra Vojvodic, Johannes Voss, Frank Abild-Pedersen, Felix Studt, Thomas Bligaard, Anders Nilsson, Jens K. Nørskov. (2015)
Toward Controlled Growth of Helicity-Specific Carbon Nanotubes. The Journal of Physical Chemistry Letters, Elton J. G. Santos, Jens K. Nørskov, Avetik R. Harutyunyan, Frank Abild-Pedersen. (2015)
Mechanistic Pathway in the Electrochemical Reduction of CO2 on RuO2. ACS Catalysis, Mohammadreza Karamad, Heine A. Hansen, Jan Rossmeisl, Jens K. Nørskov. (2015)