Publications | Center for Interface Science and Catalysis

Enhancing Electrocatalytic Water Splitting by Strain Engineering. Advanced Materials, Bo You , Michael T. Tang , Charlie Tsai, Frank Abild‐Pedersen, Xiaolin Zheng, Hong Li. (2019)

Discovery of a highly active molybdenum phosphide catalyst for methanol synthesis from CO and CO2. Angewandte Chemie, Melis S. Duyar, Charlie Tsai, Jonathan L. Snider, Joseph Singh, Alessandro Gallo, Jong Suk Yoo, Andrew J. Medford, Frank Abild-Pedersen, Felix Studt, Jakob Kibsgaard, Stacey Bent, Jens K. Nørskov, Thomas F. Jaramillo. (2018)

The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO2 Reduction Conditions: An Experimental and Theoretical Study. ACS Energy Letters, Alan T. Landers, Meredith Fields, Daniel A. Torelli, Jianping Xiao, Thomas R. Hellstern, Sonja A. Francis, Charlie Tsai, Jakob Kibsgaard, Nathan S. Lewis, Karen Chan, Christopher Hahn, Thomas F. Jaramillo. (2018)

Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis. ACS Catalysis, Aayush Singh, Joseph H. Montoya, Brian Andrew Rohr, Charlie Tsai , Aleksandra Vojvodic, Jens K. Nørskov. (2018)

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)

Promoter effects of alkali metal cations on the electrochemical reduction of carbon dioxide. Journal of the American Chemical Society, Joaquin Resasco, Leanne D. Chen, Ezra Clark, Charlie Tsai, Christopher Hahn, Thomas Jaramillo, Karen Chan, Alexis Bell. (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)

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)

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)

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)

How Doped MoS2 Breaks Transition-Metal Scaling Relations for CO2 Electrochemical Reduction. ACS Catalysis, Xin Hong, Karen Chan, Charlie Tsai, Jens K. Nørskov . (2016)

Automated Discovery and Construction of Surface Phase Diagrams Using Machine Learning. Journal of Physical Chemistry Letters, Z. W. Ulissi, A. R. Singh, C. Tsai, J. K. Nørskov. (2016)

Direct Water Decomposition on Transition Metal Surfaces: Structural Dependence and Catalytic Screening. Catalysis Letter, C. Tsai, K. Lee, J. S. Yo, X. Liu, H. Aljama, L. D. Chen, C. F. Dickens, T. S. Geisler, C. J. Guido, T. M. Joseph, C. S. Kirk, A. A. Latimer, B. Loong, R. J. McCarty, J. H. Montoya, L. Power, A. R. Singh, J. J. Willis, M. M. Winterkorn, M. Yuan, Z. Zhao, J. Wilcox, J. K. Nørskov. (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)

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)