SUNCAT

Publications

Displaying 61 - 80 of 432

Highly Compressed Two-Dimensional Form of Water at Ambient Conditions

Sarp Kaya, Daniel Schlesinger, Susumu Yamamoto, John T. Newberg, Hendrik Bluhm, Hirohito Ogasawara, Tom Kendelewicz, Gordon E. Brown Jr., Lars G. M. Pettersson, Anders Nilsson. Scientific Reports, 3, 1074. 2013.

Theoretical evidence for low kinetic overpotentials in Li-O2 electrochemistry

Jens S. Hummelshøj, Alan C. Luntz, Jens K. Nørskov. The Journal of Chemical Physics, 138, 34703. 2013.

Li-O2 Kinetic Overpotentials: Tafel Plots from Experiment and First-Principles Theory

Venkat Viswanathan, Jens K. Nørskov, Angela Speidel, Rouven Scheffler, Sanketh Gowda, Alan C. Luntz. The Journal of Physical Chemistry Letters, 4, 556-560. 2013.

Formation energies of group I and II metal oxides using random phase approximation

Jun Yan, Jens S. Hummelshøj, Jens K. Nørskov. Physical Review B, 87, 75207. 2013.

Comment on "Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications"

Frank Abild-Pedersen, Anders Nilsson, Jens K. Nørskov. The Journal of Physical Chemistry C, 117, 6914-6915. 2013.

Real-Time Observation of Surface Bond Breaking with an X-ray Laser

Martina Dell'Angela, Toyli Anniyev, Martin Beye, Ryan Coffee, Alexander Föhlisch, Jürgen Gladh, Tetsuo Katayam, Sarp Kaya, Oleksiy Krupin, Jerry LaRue, Andreas Møgelhøj, Dennis Nordlund, Jens K. Nørskov, Henrik Öberg, Hirohito Ogasawara, Henrik Öström, Lars G. M. Pettersson, Wolfgang F. Schlotter, Jonas A. Sellberg, Florian Sorgenfrei, Joshua J. Turner, Martin Wolf, Wilfried Wurth, Anders Nilsson. Science, 339, 1302-1305. 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, 15, 7785-7795. 2013.

Haldor Topsøe (1913-2013)

J. K. Nørskov, B. S. Clausen. Angewandte Chemie - International Edition, 52, 10418. 2013.

Calculated formation and reaction energies of 3 d transition metal oxides using a hierachy of exchange-correlation functional

J. Yan, J. K. Nørskov. Physical Review B, 88, 245204. 2013.

Guest-host interactions of arenes in H-ZSM-5 and their impact on methanol-to-hydrocarbons deactivation processes

Rasmus Brogaard, Bert M. Weckhuysen, Jens K. Nørskov. Journal of Catalysis, 300, 235-241. 2013.

Thermionic current densities from first principles

Johannes Voss, Aleksandra Vojvodic, Sharon H. Chou, Roger T. Howe, Igor Bargatin, Frank Abild-Pedersen. The Journal of Chemical Physics, 138, 204701. 2013.

Selective Ultrafast Probing of Transient Hot Chemisorbed and Precursor States of CO on Ru(0001)

Martin Beye, Toyli Anniyev, Ryan Coffee, Martina Dell’Angela, Alexander Föhlisch, Jürgen Gladh, Tetsuo Katayama, Sarp Kaya, Oleksiy Krupin, Andreas Møgelhøj, Anders Nilsson, Dennis Nordlund, Jens K. Nørskov, Henrik Öberg, Hirohito Ogasawara, Lars G. M. Pettersson, Wolfgang F. Schlotter, Jonas A. Sellberg, Florian Sorgenfrei, Joshua J. Turner, Martin Wolf, Wilfried Wurth, Henrik Öström. Physical Review Letters, 110, 186101. 2013.

Analysis of sulfur-induced selectivity changes for anhydrous methanol dehydrogenation on Ni(100) surfaces

Adam C. Lausche, Frank Abild-Pedersen, Robert J. Madix, Jens K. Nørskov, Felix Studt. Surface Science, 613, 58-62. 2013.

Interlayer Carbon Bond Formation Induced by Hydrogen Adsorption in Few-Layer Supported Graphene

Srivats Rajasekaran, Frank Abild-Pedersen, Hirohito Ogasawara, Anders Nilsson, Sarp Kaya. Physical Review Letters, 111, 85503. 2013.

Stability of Pt-Modified Cu(111) in the Presence of Oxygen and Its Implication on the Overall Electronic Structure

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. The Journal of Physical Chemistry C, 117, 16371-16380. 2013.

Center for Interface Science and Catalysis