Publications

Assessing the reliability of calculated catalytic ammonia synthesis rates. Science, Andrew J. Medford, Jess Wellendorff, Aleksandra Vojvodic, Felix Studt, Frank Abild-Pedersen, Karsten W. Jacobsen, Thomas Bligaard, Jens K. Nørskov. (2014)
Trends in Hydrodesulfurization Catalysis Based on Realistic Surface Models. Catalysis Letters, Poul Georg Moses, Lars C. Grabow, Eva M. Fernandez, Berit Hinnemann, Henrik Topsøe, Kim G. Knudsen, Jens K. Nørskov. (2014)
Methanol-to-hydrocarbons conversion: The alkene methylation pathway. Journal of Catalysis, Rasmus Y. Brogaarda, Reynald Henry, Yves Schuurman, Andrew J. Medford, Poul Georg Moses, Pablo Beato, Stian Svelle, Jens K. Nørskov, Unni Olsbye. (2014)
Active edge sites in MoSe2 and WSe2 catalysts for the hydrogen evolution reaction: a density functional study. Physical Chemistry Chemical Physics, Charlie Tsai, Karen Chan, Frank Abild-Pedersen, Jens K. Nørskov. (2014)
Exploring the limits: A low-pressure, low-temperature Haber-Bosch process. Chemical Physics Letters, Aleksandra Vojvodic, Andrew James Medford, Felix Studt, Frank Abild-Pedersen, Tuhin Suvra Khan, Thomas Bligaard, Jens K. Nørskov. (2014)
Reactivity Descriptor in Solid Acid Catalysis: Predicting Turnover Frequencies for Propene Methylation in Zeotypes. The Journal of Physical Chemistry Letters, Chuan-Ming Wang, Rasmus Y. Brogaard, Bert M. Weckhuysen, Jens K. Nørskov, Felix Studt. (2014)
Theoretical Analysis of Transition-Metal Catalysts for Formic Acid Decomposition. ACS Catalysis, Jong Suk Yoo, Frank Abild-Pedersen, Jens K. Nørskov, Felix Studt. (2014)
Hydrogen adsorption on bimetallic PdAu(111) surface alloys: Minimum adsorption ensemble, ligand and ensemble effects, and ensemble confinement. Physical Chemistry Chemical Physics, N. Takehiro, P. Liu, A. Bergreiter, J. K. Nørskov, R. J. Behm. (2014)
Unifying Kinetic and Thermodynamic Analysis of 2e- and 4e- Reduction of Oxygen on Metal Surfaces. The Journal of Physical Chemistry C, Heine A. Hansen, Venkat Viswanathan, Jens K. Nørskov. (2014)
Effects of d-band shape on the surface reactivity of transition-metal alloys. Physical Review B, Hongliang Xin, Aleksandra Vojvodic, Johannes Voss, Jens K. Nørskov, Frank Abild-Pedersen. (2014)
Tuning the MoS2 Edge-Site Activity for Hydrogen Evolution via Support Interactions. Nano letters, Charlie Tsai , Frank Abild-Pedersen, Jens K. Nørskov. (2014)
Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol. Nature Chemistry, Felix Studt, Irek Sharafutdinov, Frank Abild-Pedersen, Christian F. Elkjær, Jens S. Hummelshøj, Søren Dahl, Ib Chorkendorff, Jens K. Nørskov. (2014)
Electronic Structure Effects in Transition Metal Surface Chemistry. Topics in Catalysis, Aleksandra Vojvodic, Jens K. Nørskov, Frank Abild-Pedersen. (2014)
Thermochemistry and micro-kinetic analysis of methanol synthesis on ZnO (0001). Journal of Catalysis, Andrew J. Medford, Jens Sehested, Jan Rossmeisl, Ib Chorkendorff, Felix Studt, Jens K. Nørskov, Poul Georg Moses. (2014)
Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces. Physical Chemistry Chemical Physics, Chuan Shi, Heine A. Hansen, Adam C. Lausche, Jens K. Nørskov. (2014)
Climbing the Activity Volcano: Core-Shell Ru@Pt Electrocatalysts for Oxygen Reduction. ChemElectroChem, Ariel Jackson, Venkat Viswanathan, Arnold J. Forman, Ask H. Larsen, Jens K. Nørskov, Thomas F. Jaramillo. (2014)
Direct observation of the oxygenated species during oxygen reduction on a platinum fuel cell cathode. Nature Communications, Hernan Sanchez Casalongue, Sarp Kaya, Venkat Viswanathan, Daniel J. Miller, Daniel Friebel, Heine A. Hansen, Jens K. Nørskov, Anders Nilsson, Hirohito Ogasawara. (2013)
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)
Lithium and oxygen vacancies and their role in Li2O2 charge transport in Li-O2 batteries. Energy & Environmental Science, Joel B. Varley, Venkat Viswanathan, Jens K. Nørskov, Alan C. Luntz. (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)