Publications | Center for Interface Science and Catalysis

Methanol Partial Oxidation on Ag(111) from First Principles. ChemCatChem, Hassan Aljama, Jong Suk Yoo, Jens K Nørskov, Frank Abild-Pedersen, Felix Studt. (2016)

Sintering of Pt Nanoparticles via Volatile PtO2: Simulation and Comparison with Experiments. ACS Catalysis, Philipp N. Plessow, Frank Abild-Pedersen. (2016)

Chemical Bond Activation Observed with an X-ray Laser. Journal of Physical Chemistry Letters, Martin Beye, Henrik Öberg, Hongliang Xin, Georgi L. Dakovski, Martina Dell'Angela, Alexander Föhlisch, Jörgen Gladh, Markus Hantschmann, Florian Hieke, Sarp Kaya, Danilo Kühn, Jerry LaRue, Giuseppe Mercurio, Michael P. Minitti, Ankush Mitra, Stefan P. Möller, May Ling Ng, Anders Nilsson, Dennis Nordlund, Jens K. Nørskov, Henrik Öström, Hirohito Ogasawara, Mats Persson, William F. Schlotter, Jonas A. Sellberg, Martin Wolf, Frank Abild-Pedersen, Lars G. M. Pettersson, Wilfried Wurth. (2016)

Computational Catalyst Screening: Scaling, Bond-order and Catalysis. Catalysis Today, Frank Abild-Pedersen. (2016)

Two-Dimensional Materials as Catalysts for Energy Conversion. Catalysis Letters, Samira Siahrostami, Charlie Tsai, Mohammadreza Karamad, Ralph Koitz, Max García-Melchor, Michal Bajdich, Aleksandra Vojvodic, Frank Abild-Pedersen, Jens K. Nørskov, Felix Studt. (2016)

Dynamical Observation and Detailed Description of Catalysts under Strong Metal–Support Interaction. Nano Letters, Shuyi Zhang, Philipp N Plessow, Joshua J. Willis, Sheng Dai, Mingjie Xu, George W. Graham, Matteo Cargnello, Frank Abild-Pedersen, Xiaoqing Pan. (2016)

Trends in the Thermodynamic Stability of Ultrathin Supported Oxide Films. Journal of Physical Chemistry C, Philipp N. Plessow, Michal Bajdich, Joshua Greene, Aleksandra Vojvodic, Frank Abild-Pedersen. (2016)

Modeling the Interface of Platinum and α-Quartz(001): Implications for Sintering. Journal of Physical Chemistry C, Philipp N. Plessow, Roel S. Sánchez-Carrera, Lin Li, Michael Rieger, Simeon Sauer, Ansgar Schaefer, Frank Abild-Pedersen. (2016)

Chemical and Phase Evolution of Amorphous Molybdenum Sulfide Catalysts for Electrochemical Hydrogen Production. ACS Catalysis, Sang Chul Lee, Jesse D. Benck, Charlie Tsai, Joonsuk Park, Ai Leen Koh, Frank Abild-Pedersen, Thomas F. Jaramillo, Robert Sinclair. (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)

Elucidating the electronic structure of supported gold nanoparticles and its relevance to catalysis by means of hard X-ray photoelectron spectroscopy. Surface Science, Benjamin N. Reinecke , Kendra P. Kuhl, Hirohito Ogasawara, Lin Li, Johannes Voss, Frank Abild-Pedersen, Anders Nilsson, Thomas F. Jaramillo. (2016)

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)

Predicting Promoter-Induced Bond Activation on Solid Catalysts Using Elementary Bond Orders. The Journal of Physical Chemistry Letters, Charlie Tsai, Allegra A. Latimer, Jong Suk Yoo, Felix Studt, Frank Abild-Pedersen. (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)

Hydrogenation of CO2 to methanol and CO on Cu/ZnO/Al2O3: Is there a common intermediate or not?. Journal of Catalysis, Edward L. Kunkes, Felix Studt, Frank Abild-Pedersen, Robert Schlögl, Malte Behrens. (2015)

Engineering high-performance Pd core–MgO porous shell nanocatalysts via heterogeneous gas-phase synthesis. Nanoscale, Vidya D. Singh, Cathal Cassidy, Frank Abild-Pedersen, Jeong-Hwan Kim, Kengo Aranishi, Sushant Kumar, Chhagan Lal, Christian Gspan, Werner Groggerc, Mukhles Sowwan. (2015)

Low Barrier Carbon Induced CO Dissociation on Stepped Cu. Physical Review Letters, May L. Ng, Frank Abild-Pedersen, Sarp Kaya, Felix Mbuga, Hirohito Ogasawara, Anders Nilsson. (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)