Publications | Center for Interface Science and Catalysis

Vernier template synthesis of molecular knots. Science, Zoe Ashbridge, Elisabeth Kreidt, Lucian Pirvu, Fredrik Schaufelberger, Joakim Halldin Stenlid, Frank Abild-Pedersen, David A Leigh. (2022)

Colloidal Platinum–Copper Nanocrystal Alloy Catalysts Surpass Platinum in Low-Temperature Propene Combustion. Journal of the American Chemical Society, Nadia Tahsini, An-Chih Yang, Verena Streibel, Baraa Werghi, Emmett D Goodman, Aisulu Aitbekova, Simon R Bare, Yuejin Li, Frank Abild-Pedersen, Matteo Cargnello. (2022)

Microkinetic modeling of propene combustion on a stepped, metallic palladium surface and the importance of oxygen coverage. ACS Catalysis, Verena Streibel, Hassan Aljama, An-Chih Yang, Tej S Choksi, Roel S Sánchez-Carrera, Ansgar Schäfer, Yuejin Li, Matteo Cargnello, Frank Abild-Pedersen. (2022)

Exploring Trends on Coupling Mechanisms toward C3 Product Formation in CO(2)R. The Journal of Physical Chemistry C, Michael T Tang , Hong-Jie Peng, Joakim H Stenlid , Frank Abild-Pedersen. (2021)

Modeling Potential-Dependent Electrochemical Activation Barriers: Revisiting the Alkaline Hydrogen Evolution Reaction. Journal of the American Chemical Society, Jiang Li, Joakim Halldin Stenlid, Thomas Ludwig, Philomena Schlexer Lamoureux, Frank Abild-Pedersen. (2021)

Efficient Screening of Bi–Metallic Electrocatalysts for Glycerol Valorization. Electrochimica Acta, Egon Campos dos Santos, Rafael B Araujo, Mikael Valter, German Salazar-Alvarez, Mats Johnsson, Michal Bajdich, Frank Abild-Pedersen, Lars Gunnar Moody Pettersson. (2021)

Combining artificial intelligence and physics-based modeling to directly assess atomic site stabilities: from sub-nanometer clusters to extended surfaces. Physical Chemistry Chemical Physics, Philomena Schlexer Lamoureux , Verena Streibel, Tej Choksi, Frank Abild-Pedersen. (2021)

The Role of Roughening to Enhance Selectivity to C2+ Products during CO2 Electroreduction on Copper. ACS Energy Letters, Joseph A Gauthier, , Joakim Halldin Stenlid, Frank Abild-Pedersen , Martin Head-Gordon , Alexis T Bell. (2021)

Guiding the Catalytic Properties of Copper for Electrochemical CO2 Reduction by Metal Atom Decoration. ACS Appl. Mater. Interfaces, Yusaku F. Nishimura, Hong-Jie Peng, Stephanie Nitopi, Michal Bajdich, Lei Wang, Carlos G. Morales-Guio, Frank Abild-Pedersen, Thomas F. Jaramillo, Christopher Hahn. (2021)

Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site. Proceedings of the National Academy of Sciences, Tao Wang, Frank Abild-Pedersen. (2021)

Dynamics and Hysteresis of Hydrogen Intercalation and Deintercalation in Palladium Electrodes: A Multimodal In Situ X-ray Diffraction, Coulometry, and Computational Study. Chemistry of Materials , Alan T. Landers, Hongjie Peng, David M. Koshy, Soo Hong Lee, Jeremy T. Feaster, John C. Lin, Jeffrey W. Beeman, Drew Higgins, Junko Yano, Walter S. Drisdell, Ryan C. Davis, Michal Bajdich, Frank Abild-Pedersen, Apurva Mehta , Thomas F. Jaramillo, Christopher Hahn. (2021)

Ultrafast Adsorbate Excitation Probed with Subpicosecond-Resolution X-Ray Absorption Spectroscopy. Physical Review Letters, Elias Diesen, Hsin-Yi Wang, Simon Schreck, Matthew Weston, Hirohito Ogasawara, Jerry LaRue, Fivos Perakis, Martina Dell’Angela, Flavio Capotondi, Luca Giannessi, Emanuele Pedersoli, Denys Naumenko, Ivaylo Nikolov, Lorenzo Raimondi, Carlo Spezzani, Martin Beye, Filippo Cavalca, Boyang Liu, Jörgen Gladh, Sergey Koroidov, Piter S. Miedema, Roberto Costantini, Tony F. Heinz, Frank Abild-Pedersen, Johannes Voss, Alan C. Luntz, Anders Nilsson. (2021)

Insights and comparison of structure–property relationships in propane and propene catalytic combustion on Pd-and Pt-based catalysts. Journal of Catalysis, An-Chih Yang , Verena Streibel , Tej S Choksi , Hassan Aljama , Baraa Werghi , Simon R Bare , Roel S Sánchez-Carrera, Ansgar Schäfer , Yuejin Li , Frank Abild-Pedersen , Matteo Cargnello. (2021)

Bimetallic effects on Zn-Cu electrocatalysts enhance activity and selectivity for the conversion of CO2 to CO. Chemical Catalysis, Lei Wang , Hongjie Peng, Sarah Lamaison, Zhifu Qi, David M. Koshy, Michaela Burke Stevens, David Wakerley, José A. Zamora Zeledón, Laurie A. King, Lan Zhou, Yungchieh Lai, Marc Fontecave, John Gregoire, Frank Abild-Pedersen, Thomas F. Jaramillo, Christopher Hahn. (2021)

Theory-Aided Discovery of Metallic Catalysts for Selective Propane Dehydrogenation to Propylene. ACS Catalysis, Tao Wang, Xinjiang Cui, Kirsten T Winther, Frank Abild-Pedersen, Thomas Bligaard, Jens K Nørskov. (2021)

Identification of earth-abundant materials for selective dehydrogenation of light alkanes to olefins. Proceedings of the National Academy of Sciences, Tao Wang, Guomin Li, Xinjiang Cui, Frank Abild-Pedersen. (2021)

The Role of Atomic Carbon in Directing Electrochemical CO(2) Reduction to Multicarbon Products. Energy & Environmental Science, Hongjie Peng, Michael T. Tang, Xinyan Liu, Philomena Schlexer Lamoureux, Michal Bajdich, Frank Abild-Pedersen . (2020)

Accuracy of XAS theory for unravelling structural changes of adsorbates: CO on Ni(100). AIP Advances , Elias Diesen, Gabriel L. S. Rodrigues, Alan Luntz, Frank Abild-Pedersen, Lars G. M. Pettersson, Johannes Voss. (2020)

Identifying factors controlling the selective ethane dehydrogenation on Pt-based catalysts from DFT based micro-kinetic modeling. Journal of Energy Chemistry, Tao Wang, Frank Abild-Pedersen. (2021)

From electricity to fuels: Descriptors for C1 selectivity in electrochemical CO2 reduction. Applied Catalysis B: Environmental, Michael T. Tang, Hongjie Peng, Philomena Schlexer Lamoureux, Michal Bajdich, Frank Abild-Pedersen. (2020)