Publications | Center for Interface Science and Catalysis

On the Nature of Lone Pair–Surface Bonds and Their Scaling Relations. Inorganic Chemistry, Arvin Kakekhani, Luke T. Roling, Ambarish Kulkarni, Allegra A. Latimer, Hadi Abroshan, Julia Schumann, Hassan Aljama, Samira Siahrostami, Sohrab Ismail-Beigi, Frank Abild-Pedersen, Jens K. Nørskov. (2018)

Spin Uncoupling in Chemisorbed OCCO and CO2–Two High-Energy Intermediates in Catalytic CO2 Reduction. The Journal of Physical Chemistry C, Svante Hedström, Egon Campos Dos Santos, Chang Liu, Karen Chan, Frank Abild-Pedersen, Lars GM Pettersson. (2018)

Structure‐Sensitive Scaling Relations: Adsorption Energies from Surface Site Stability. ChemCatChem, Luke T Roling, Frank Abild‐Pedersen. (2018)

Selectivity of synthesis gas conversion to C2+ oxygenates on fcc (111) transition metal surfaces. ACS Catalysis, Julia Schumann, Andrew J Medford, Jong Suk Yoo, Zhi-Jian Zhao, Pallavi Bothra, Ang Cao, Felix Studt, Frank Abild-Pedersen, Jens K Norskov. (2018)

Generic approach to access barriers in dehydrogenation reactions. Communications Chemistry, Liang Yu, Laia Vilella, Frank Abild-Pedersen. (2018)

Systematic Structure–Property Relationship Studies in Palladium-Catalyzed Methane Complete Combustion. ACS Catalysis, Joshua J Willis, Alessandro Gallo, Dimosthenis Sokaras, Hassan Aljama, Stanislaw H Nowak, Emmett D Goodman, Liheng Wu, Christopher J Tassone, Thomas F Jaramillo, Frank Abild-Pedersen, Matteo Cargnello. (2017)

Configurational Energies of Nanoparticles Based on Metal–Metal Coordination. The Journal of Physical Chemistry C, Luke T Roling, Frank Abild-Pedersen. (2017)

Investigating Catalyst–Support Interactions To Improve the Hydrogen Evolution Reaction Activity of Thiomolybdate [Mo3S13]2– Nanoclusters. ACS Catalysis, Thomas R. Hellstern, Jakob Kibsgaard, Charlie Tsai, David W. Palm, Laurie A. King, Frank Abild-Pedersen, Thomas F. Jaramillo. (2017)

Real-time elucidation of catalytic pathways in CO hydrogenation on Ru. The journal of physical chemistry letters, Jerry LaRue, Ondrej Krejci, Liang Yu, Martin Beye, May Ling Ng, Henrik Oberg, Hongliang Xin, Giuseppe Mercurio, Joshua J Turner, Dennis Nordlund, Ryan Coffee, Michael P Minitti, Wilfried Wurth, Lars GM Pettersson, Henrik Ostrom, Anders Nilsson, Frank Abild-Pedersen, Hirohito Ogasawara. (2017)

Theoretical Insights into Methane C–H Bond Activation on Alkaline Metal Oxides. Journal of Physical Chemistry C, Hassan Aljama, Jens K. Nørskov, Frank Abild-Pedersen. (2017)

Rh-MnO Interface Sites Formed by Atomic Layer Deposition Promote Syngas Conversion to Higher Oxygenates. ACS Catalysis, Nuoya Yang, Jong Suk Yoo,, Julia Schumann, Pallavi Bothra, Joseph A Singh, Eduardo Valle, Frank Abild-Pedersen, Jens K Nørskov, Stacey F Bent. (2017)

A Theoretical Study of Methanol Oxidation on RuO2(110): Bridging the Pressure Gap. ACS Catalysis, Allegra A. Latimer, Frank Abild-Pedersen, Jens K. Nørskov. (2017)

Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution. Nature Communications, Charlie Tsai, Hong Li, Sangwook Park, Joonsuk Park, Hyun Soo Han, Jens K. Nørskov, Xiaolin Zheng, Frank Abild-Pedersen. (2017)

Scaling Relations for Adsorption Energies on Doped Molybdenum Phosphide Surfaces. ACS Catalysis, Meredith Fields, Charlie Tsai, Leanne D. Chen, Frank Abild-Pedersen, Jens K. Nørskov, Karen Chan. (2017)

Modeling the Migration of Platinum Nanoparticles on Surfaces Using a Kinetic Monte Carlo Approach. Journal of Physical Chemistry C, Lin Li, Philipp N Plessow, Michael Rieger, Simeon Sauer, Roel Sanchez, Ansgar Schaefer, Frank Abild-Pedersen. (2017)

Catalysis in Real Time using X-ray Lasers. Chemical Physics Letters, Anders Nilsson, Jerry LaRue, Henrik Öberg, Hirohito Ogasawara, Martina Dell'Angela, Martin Beye, Henrik Öström, Jörgen Gladh, Jens K. Nørskov, Wilfried Wurth, Frank Abild-Pedersen, Lars G.M. Pettersson. (2017)

Mechanistic insights into heterogeneous methane activation. Physical Chemistry Chemical Physics, Allegra A. Latimer, Hassan Aljama, Arvin Kakekhani, Jong Suk Yoo, Ambarish Kulkarni, Charlie Tsai, Max Garcia-Melchor, Frank Abild-Pedersen, Jens K. Nørskov. (2017)

Understanding trends in C–H bond activation in heterogeneous catalysis. Nature Materials, Allegra A. Latimer, Ambarish R. Kulkarni, Hassan Aljama, Joseph H. Montoya, Jong Suk Yoo, Charlie Tsai, Frank Abild-Pedersen, Felix Studt, Jens K. Nørskov. (2017)

Bond Order Conservation Strategies in Catalysis Applied to the NH3 Decomposition Reaction. ACS Catalysis, Liang Yu, Frank Abild-Pedersen. (2017)

Direct and continuous strain control of catalysts with tunable battery electrode materials. Science, Haotian Wang, Shicheng Xu, Charlie Tsai, Yuzhang Li, Chong Liu, Jie Zhao, Yayuan Liu, Hongyuan Yuan, Frank Abild-Pedersen, Fritz B. Prinz, Jens K. Nørskov, Yi Cui. (2016)