Publications

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. (2015)
Computational Catalyst Screening: Scaling, Bond-order and Catalysis.Catalysis Today,Frank Abild-Pedersen. (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)
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)
Examining the Linearity of Transition State Scaling Relations.The Journal of Physical Chemistry C,Philipp N. Plessow, Frank Abild-Pedersen. (2015)
Strong Influence of Coadsorbate Interaction on CO Desorption Dynamics Probed by Ultrafast X-ray Spectroscopy and Ab Initio Simulations.Physical Review Letters,Hongliang Xin, Jerry LaRue, Henrik Öberg, Martin Beye, Martina Dell’Angela, Joshua  J. Turner, Jurgen Gladh, May  L. Ng, Jonas  A. Sellberg, Sarp Kaya, Giuseppe Mercurio, Florian Hieke, Dennis Nordlund, Wolfgang  F. Schlotter, Georgi  L. Dakovski, Mike  P. Minitti, Alexander Föhlisch, Martin Wolf, Wilfried Wurth, Hirohito Ogasawara, Jens  K. Nørskov, Henrik Öström, Lars  G. M. Pettersson, Anders Nilsson, Frank Abild-Pedersen. (2015)
The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts.ChemCatChem,Felix Studt, Malte Behrens, Edward L. Kunkes, Nygil Thomas, Stefan Zander, Andrey Tarasov, Julia Schumann, Elias Frei, Joel B. Varley, Frank Abild-Pedersen, Jens K. Nørskov, Robert Schlögl. (2015)
Probing the Transition State Region in Catalytic CO Oxidation on Ru.Science,Henrik Öström, Henrik Öberg, Hongliang Xin, Jerry LaRue, Martin Beye, Martina Dell’Angela, Jürgen Gladh, May L. Ng, Jonas A. Sellberg, Sarp Kaya, Giuseppe Mercurio, Dennis Nordlund, Markus Hantschmann, Florian Hieke, Danilo Kühn, Wolfgang F. Schlotter, Georgi L. Dakovski, Joshua J. Turner, Mike P. Minitti, Ankush Mitra, Stefan P. Moeller, Alexander Föhlisch, Martin Wolf, Wilfried Wurth, Mats Persson, Jens K. Nørskov, Frank Abild-Pedersen, Hirohito Ogasawara, Lars G. M. Pettersson, Anders Nilsson. (2015)
Transition Metal Doped Edge Sites in Vertically Aligned MoS2 Catalysts for Enhanced Hydrogen Evolution.Nano Research,Haotian Wang, Charlie Tsai, Desheng Kong, Karen Chan, Frank Abild-Pedersen, Jens K. Nørskov, Yi Cui. (2015)
On the role of the surface oxygen species during A-H (A = C, N, O) bond activation: a density functional theory study.Chemical Communications,Jong Suk Yoo, Tuhin S. Khan, Frank Abild-Pedersen, Jens K. Nørskov, Felix Studt. (2015)
Rational design of MoS2 catalysts: tuning the structure and activity via transition metal doping.Catalysis Science & Technology,Charlie Tsai, Karen Chan, Jens K. Nørskov, Frank Abild-Pedersen. (2015)
Energetics of the Water-Gas-Shift Reaction on the Active Sites of the Industrially Used Cu/ZnO/Al2O3 Catalyst.Catalysis Letters,Felix Studt, Malte Behrens, Frank Abild-Pedersen. (2014)
Operando Characterization of an Amorphous Molybdenum Sulfide Nanoparticle Catalyst during the Hydrogen Evolution Reaction.The Journal of Physical Chemistry C,Hernan Sanchez Casalongue, Jesse D. Benck, Charlie Tsai, Rasmus Karlsson, Sarp Kaya, May Ling Ng, Lars Pettersson, Frank Abild-Pedersen, Jens K. Nørskov, Hirohito Ogasawara, Thomas F. Jaramillo, Anders Nilsson. (2014)