Publications | Center for Interface Science and Catalysis

The Materials Research Platform: Defining the Requirements from User Stories. Matter, M. Aykol, J. S. Hummelshøj, A. Anapolsky, K. Aoyagi, M. Z. Bazant, T. Bligaard, R. D. Braatz, S. Broderick, D. Cogswell, J. Dagdelen, W. Drisdell, E. Garcia, K. Garikipati, V. Gavini, W. E. Gent, L. Giordano, C. P. Gomez, R. Gomez-Bombarelli, C. Balaji Gopal, J. M. Gregoire, J. C. Grossman, P. Herring, L. Hung, T. F. Jaramillo, L. King, H.-K. Kwon, R. Maekawa, A. M. Minor, J. H. Montoya, T. Mueller, C. Ophus, K. Rajan, R. Ramprasad, B. Rohr, D. Schweigert, Y. Shao-Horn, Y. Suga, S. K. Suram, V. Viswanathan, J. F. Whitacre, A. P. Willard, O. Wodo, C. Wolverton, B. D. Storey. (2019)

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)

First principles investigation of zinc-anode dissolution in zinc–air batteries. Physical Chemistry Chemical Physics, 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. (2013)

Formation energies of group I and II metal oxides using random phase approximation. Physical Review B, Jun Yan, Jens S. Hummelshøj, Jens K. Nørskov. (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 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)

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)

Twin Problems of Interfacial Carbonate Formation in Nonaqueous Li–O2 Batteries. The Journal of Physical Chemistry Letters, Bryan D. McCloskey, Angela Speidel, Rouven Scheffler, Daniel C. Miller, Venkat Viswanathan, Jens S. Hummelshøj, Jens K. Nørskov, Alan C. Luntz. (2012)

CatApp: A Web Application for Surface Chemistry and Heterogeneous Catalysis. Angewandte Chemie, Jens S. Hummelshøj, Frank Abild-Pedersen, Felix Studt, Thomas Bligaard, Jens K. Nørskov. (2011)

Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries. The Journal of Chemical Physics, Venkat Viswanathan, Kristian S. Thygesen, Jens S. Hummelshøj, Jens K. Nørskov, Girish Girishkumar, Bryan D. McCloskey, Alan C. Luntz. (2011)

The role of transition metal interfaces on the electronic transport in lithium–air batteries. Catalysis Today, Jingzhe Chen, Jens S. Hummelshøj, Kristian S. Thygesen, Jon S.G. Myrdal, Jens K. Nørskov, Tejs Vegge. (2011)

Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery. The Journal of Chemical Physics, Jens S. Hummelshøj, Jakob Blomqvist, Soumendu Datta, Tejs Vegge, Jan Rossmeisl, Kristian S. Thygesen, Alan C. Luntz, Karsten W. Jacobsen, Jens K. Nørskov. (2010)

Ammonia dynamics in magnesium ammine from DFT and neutron scattering. Energy & Environmental Science, Adem Tekin, Jens S. Hummelshøj, Hjalte S. Jacobsen, Dadi Sveinbjörnsson, Didier Blanchard, Jens K. Nørskov, Tejs Vegge. (2010)