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Understanding Structure-Property Relationships of MoO3-Promoted Rh Catalysts for Syngas Conversion to Alcohols. Arun Somayaji Asundi, Adam S. Hoffman, Pallavi Bothra, Alexey Boubnov, Fernando Vila, Nuoya Yang, Joseph A. Singh, Li Zeng, James A. Raiford, Frank Abild-Pedersen, Simon R. Bare, Stacey F. Bent. Journal of American Chemical Society. 2019.
Facile Electron Transfer to CO 2 During Adsorption at the Metal | Solution Interface. Joseph A Gauthier, Meredith Fields, Michal Bajdich, Leanne D Chen, Robert B. Sandberg, Karen Chan, Jens K. Nørskov. 2019.
Improved Oxygen Reduction Reaction Activity of Nanostructured CoS2 through Electrochemical Tuning. Wei-Wei Zhao, Pallavi Bothra, Zhiyi Lu, Yanbin Li, Kai Liu, Li-Ping Mei, Zhenghang Zhao, Guangxu Chen, Seoin Back, Samira Siahrostami, Ambarish Kulkarni, Jens K. Nørskov, Michal Bajdich, Yi Cui. ACS Aplied Energy Materials. 2019.
Accessing the C–C transition state energy on transition metals. Hassan Aljama, Frank Abild-Pedersen. Physical Chemistry Chemical Physics. 2019.
A non-precious metal hydrogen catalyst in a commercial polymer electrolyte membrane electrolyser. Laurie A. King, McKenzie A. Hubert, Christopher Capuano, Judith Manco, Nemanja Danilovic, Eduardo Valle, Thomas R. Hellstern, Katherine Ayers, Thomas F. Jaramillo. Nature Nanotechnology, 14, 1071-1074. 2019.
Surface Engineering of 3D Gas Diffusion Electrodes for High‐Performance H2 Production with Nonprecious Metal Catalysts . Joel Sanchez ​, Thomas R. Hellstern, Laurie A. King, Thomas F. Jaramillo. Advanced Energy Materials, 1901824. 2019.
Selective high-temperature CO2 electrolysis enabled by oxidized carbon intermediates. Theis L. Skafte, Zixuan Guan, Michael L. Machala, Chirranjeevi B. Gopal, Matteo Monti, Lev Martinez, Eugen Stamate, Simone Sanna, Jose A. Garrido Torres, Ethan J. Crumlin, Max García-Melchor, Michal Bajdich, William C. Chueh, Christopher Graves. Nature Energy. 2019.
A Two-Dimensional MoS2 Catalysis Transistor by Solid-State Ion Gating Manipulation and Adjustment (SIGMA). Yecun Wu, Stefan Ringe, Chun-Lan Wu, Wei Chen, Ankun Yang, Hao Chen, Michael Tang, Guangmin Zhou, Harold Y. Hwang, Karen Chan, Yi Cui. Nano Letters. 2019.
ZnO As an Active and Selective Catalyst for Electrochemical Water Oxidation to Hydrogen Peroxide. Sara R. Kelly, Xinjian Shi, Seoin Back, Lauren Vallez, So Yeon Park, Samira Siahrostami, Xiaolin Zheng, Jens K. Nørskov. ACS Catalysis, 9, 4593-4599. 2019.
Aqueous Electrochemical Reduction of Carbon Dioxide and Carbon Monoxide into Methanol with Cobalt Phthalocyanine. Etienne Boutin, Min Wang, John C. Lin, Matthieu Mesnage, Daniela Mendoza, Benedikt Lassalle-Kaiser, Christopher Hahn, Thomas F. Jaramillo, Marc Robert. Angewandte Chemie International Edition, 58. 2019.
Highly selective oxygen reduction to hydrogen peroxide on transition metal single atom coordination. Kun Jiang, Seoin Back, Austin J. Akey, Chuan Xia, Yongfeng Hu, Wentao Liang, Diane Schaak, Eli Stavitski, Jens K. Nørskov, Samira Siahrostami, Haotian Wang. Nature Communications, 10, 3997. 2019.
Systematic Investigation of Iridium-Based Bimetallic Thin Film Catalysts for the Oxygen Evolution Reaction in Acidic Media Authors. Alaina L. Strickler, Raul A. Flores, Laurie A. King, Jens K. Nørskov, Michal Bajdich, Thomas F. Jaramillo. ACS Applied Materials and Interfaces. 2019.
Catalyst deactivation via decomposition into single atoms and the role of metal loading. Emmett D. Goodman, Aaron C. Johnston-Peck, Elisabeth M. Dietze, Cody J. Wrasman, Adam S. Hoffman, Frank Abild-Pedersen, Simon R. Bare, Philipp N. Plessow , Matteo Cargnello . Nature Catalysis, 2, 748-755. 2019.
Understanding cation effects in electrochemical CO2 reduction. Stefan Ringe, Ezra L. Clark, Joaquin Resasco, Amber Walton, Brian Seger, Alexis T. Bell, Karen Chan. Energy and Environmental Science. 2019.
Adsorption on transition metal surfaces: Transferability and accuracy of DFT using the ADS41 dataset. Shaama Mallikarjun Sharada, Rasmus K. B. Karlsson, Yasheng Maimaiti, Johannes Voss, Thomas Bligaard. Physical Review B, 100, 035439. 2019.
Electro-Oxidation of Methane on Platinum under Ambient Conditions. Michael J. Boyd, Allegra A. Latimer, Colin F. Dickens, Adam C. Nielander, Christopher Hahn, Jens K. Nørskov, Drew C. Higgins, Thomas F. Jaramillo. ACS Catalysis, 98, 7578-7587. 2019.
Practical Considerations for Continuum Models Applied to Surface Electrochemistry. Joseph A. Gauthier , Colin F. Dickens, Stefan Ringe, Karen Chan. ChemPhysChem, 20, 1-8. 2019.
Precious Metal-Free Nickel Nitride Catalyst for the Oxygen Reduction Reaction. Melissa E. Kreider, Alessandro Gallo, Seoin Back, Yunzhi Liu, Samira Siahrostami, Dennis Nordlund, Robert Sinclair, Jens K. Nørskov, Laurie A. King, Thomas F. Jaramillo. ACS Applied Materials Interfaces, 11, 26863-26871. 2019.
Insights into the Electrochemical Oxygen Evolution Reaction with ab Initio Calculations and Microkinetic Modeling: Beyond the Limiting Potential Volcano. Colin F. Dickens, Charlotte Kirk, Jens K. Nørskov. Journal of Physical Chemistry C, 123, 18960-18977. 2019.
High-throughput screening of solid-state Li-ion conductors using lattice-dynamics descriptors. Sokseiha Muy, Johannes Voss, Roman Schlem, Raimund Koerver, Stefan J. Sedlmaier, Filippo Maglia, Peter Lamp, Wolgang G. Zeier, Yang Shao-Horn. iScience, 16, 270-282. 2019.
Directing Selectivity in Catalysis with Surface Area: Electrochemically Converting Carbon Monoxide to Liquid Fuels. Lei Wang, Stephanie A. Nitopi, Andrew B. Wong, Jonathan L. Snider, Adam C. Nielander, Carlos G. Morales-Guio, Marat Orazov, Drew C. Higgins, Christopher Hahn, Thomas F. Jaramillo. Nature Catalysis, 2, 702-708. 2019.
Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H2 + Cu(111) and H2 + Ag(111). Egidius W. F. Smeets, Johannes Voss, Geert-Jan Kroes. Journal of Physical Chemistry A. 2019.
pH effects on hydrogen evolution and oxidation over Pt(111): Insights from first principles. Philomena Schlexer Lamoureux, Aayush Singh, Karen Chan. ACS Catalysis. 2019.
Trends in Oxygen Electrocatalysis of 3d-Layered (Oxy)(Hydro)Oxides. Zhenghang Zhao, Philomena Schlexer Lamoureux, Ambarish Kulkarni, Michal Bajdich. ChemCatChem. 2019.
Stabilization of reactive Co4O4 cubane oxygen-evolution catalysts within porous frameworks. Andy I. Nguyen, Kurt M. Van Allsburg, Maxwell W. Terban, Michal Bajdich, Julia Oktawiec, Jaruwan Amtawong, Micah S. Ziegler, James P. Dombrowski, K. V. Lakshmi, Walter S. Drisdell, Junko Yano, Simon J. L. Billinge, T. Don Tilley. Proceedings of the national academy of sciences. 2019.
High-throughput calculations of catalytic properties of bimetallic alloy surfaces. Osman Mamun, Kirsten T. Winther, Jacob R. Boes, Thomas Bligaard. Scientific Data , 6, 76. 2019.
Catalysis-Hub.org, an open electronic structure database for surface reactions. Kirsten T. Winther, Max J. Hoffmann, Jacob R. Boes, Osman Mamun, Michal Bajdich, Thomas Bligaard. Nature Scientific Data, 6, 75. 2019.
Self-Selective Catalyst Synthesis for CO2 Reduction. Hongxia Wang, Zheng Liang, Michael Tang, Guangxu Chen, Yanbin Li, Wei Chen, Dingchang Lin, Zewen Zhang, Guangmin Zhou, Jun Li, Zhiyi Lu, Karen Chan, Tianwei Tan, Yi Cui. Joule, 3, 1927-1936. 2019.
Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte. Stephanie Nitopi, Erlend Bertheussen, Soren B. Scott, Xinyan Liu, Albert K. Engstfeld, Sebastian Horch, Brian Seger, Ifan E.L. Stephens, Karen Chan, Christopher Hahn, Jens K. Nørskov, Thomas F. Jaramillo, Ib Chorkendorff. Chemical Reviews, 119, 7610-7672. 2019.
Electrolyte Effects on the Stability of Ni-Mo Cathodes for the Hydrogen Evolution Reaction.. Wijten, Jochem H J, Riemersma, Romy L, Gauthier, Joseph, Mandemaker, Laurens D B, Verhoeven, M W G M Tiny, Hofmann, Jan P, Chan, Karen, Weckhuysen, Bert M. ChemSusChem, 12, 3491-3500. 2019.
Machine Learning for Computational Heterogeneous Catalysis. Philomena Schlexer Lamoureux, Kirsten Winther, Jose Antonio Garrido Torres , Verena Streibel, Meng Zhao, Michal Bajdich, Frank Abild-Pedersen, Thomas Bligaard. ChemCatChem, 11, 3581-3601. 2019.
What would it take for renewably-powered electrosynthesis to displace petrochemical processes?. Phil De Luna, Christopher Hahn, Drew Higgins, Shaffiq Jaffer, Thomas F. Jaramillo, Edward H. Sargent. Science, 364, eaav3506. 2019.
Multi-ion Conduction in Li3OCl Glass Electrolytes. Hendrik H. Heenen, Johannes Voss, Christoph Scheurer, Karsten Reuter, Alan C. Luntz. Journal of Physical Chemistry Letters, 10, 2264-2269. 2019.
The Role of Aluminum in Promoting Ni–Fe–OOH Electrocatalysts for the Oxygen Evolution Reaction. Jon G. Baker, Joel R Schneider, Jose Antonio Garrido Torres, Joseph A Singh, Adriaan JM Mackus, Michal Bajdich, Stacey F Bent. ACS Applied Energy Materials, 2, 3488. 2019.
Predicting Adsorption Properties of Catalytic Descriptors on Bimetallic Nanoalloys with Site-Specific Precision. Tej S Choksi, Luke T Roling, Verena Streibel, Frank Abild-Pedersen. The Journal of Physical Chemistry Letters, 10, 1852-1859. 2019.
Influence of Atomic Surface Structure on the Activity of Ag for the Electrochemical Reduction of CO2 to CO. Ezra L. Clark, Stefan Ringe, Michael Tang, Amber Walton, Christopher Hahn, Thomas F. Jaramillo, Karen Chan, Alexis T. Bell. ACS Catalysis, 9, 4006-4014. 2019.
Revealing the synergy between oxide and alloy phases on the performance of bimetallic In-Pd catalysts for CO2 hydrogenation to methanol. Jonathan Leon Snider, Verena Streibel, McKenzie Austin Hubert, Tej S Choksi, Eduardo Valle, David Chester Upham, Julia Schumann, Melis Seher Duyar, Alessandro Gallo, Frank Abild-Pedersen, Thomas F Jaramillo. ACS Catalysis, 9, 3399-3412. 2019.
Electrochemical flow cell enabling operando probing of electrocatalyst surfaces by X-ray spectroscopy and diffraction. Maryam Farmand, Alan Landers, John C. Lin, Jeremy T. Feaster, Jeffrey W. Beeman, Yifan Ye, Ezra L. Clark, Drew Higgins, Junko Yano, Ryan Davis, Apurva Mehta, Thomas F. Jaramillo, Christopher Hahn, Walter S. Drisdell. Physical Chemistry Chemical Physics, 21, 5402-5408. 2019.
Graph Theory Approach to High-Throughput Surface Adsorption Structure Generation. Jacob R. Boes, Osman Mamun, Kirsten T. Winther, Thomas Bligaard. Journal of Physical Chemistry A, 123, 2281-2285. 2019.
Absence of Oxidized Phases in Cu under CO Reduction Conditions. Soren B. Scott, Thomas V. Hogg, Alan T. Landers, Thomas Maagaard, Erlend Bertheussen, John C. Lin, Ryan C. Davis, Jeffrey W. Beeman, Drew Higgins, Walter S. Drisdell, Christopher Hahn, Apurva Mehta, Brian Seger, Thomas F. Jaramillo, Ib Chorkendorff. ACS Energy Letters, 4, 803-804. 2019.
A coordination-based model for transition metal alloy nanoparticles. Luke T Roling, Tej Choksi, Frank Abild-Pedersen. Nanoscale, 11, 4438-4452. 2019.
Enhancing Electrocatalytic Water Splitting by Strain Engineering. Bo You , Michael T. Tang , Charlie Tsai, Frank Abild‐Pedersen, Xiaolin Zheng, Hong Li. Advanced Materials, 31, 1807001. 2019.
Selective and Efficient Gd-Doped BiVO4 Photoanode for Two-Electron Water Oxidation to H2O2. Ji Hyun Baek, Thomas Mark Gill, Hadi Abroshan, Sangwook Park, Xinjian Shi, Jens K. Nørskov, Samira Siahrostami, Xiaolin Zhen. ACS Energy Letters, 4, 720-728. 2019.
Development of MoP catalysts for higher alcohol synthesis from syngas by exploiting support and promoter effects. Iris C. ten Have, Eduardo Valle, Alessandro Gallo, Jonathan L. Snider, Melis S. Duyar, Thomas F. Jaramillo. Energy Technology. 2019.
Identification of the active complex for CO oxidation over single-atom Ir-on-MgAl2O4 catalysts. Yubing Lu, Jiamin Wang, Liang Yu, Libor Kovarik, Xiwen Zhang, Adam S. Hoffman, Alessandro Gallo, Simon R. Bare, Dimosthenis Sokaras, Thomas Kroll, Vanessa Dagle, Hongliang Xin, Ayman M. Karim. Nature Catalysis, 2, 149-156. 2019.
Role of Co2C in ZnO-promoted Co Catalysts for Alcohol Synthesis from Syngas. Joseph A. Singh, Adam S. Hoffman, Julia Schumann, Alexey Boubnov, Arun S. Asundi, Sindhu S. Nathan, Jens Nørskov, Simon R. Bare, Stacey F. Bent. ChemCatChem, 11, 799-809. 2018.
Noble metal supported hexagonal boron nitride for the oxygen reduction reaction: a DFT study. Seoin Back, Samira Siahrostami. Nanoscale Advances, 1, 132-139. 2019.
Probing Atomic Distributions in Mono- and Bimetallic Nanoparticles by Supervised Machine Learning. Janis Timoshenko, Cody J. Wrasman, Mathilde Luneau, Tanya Shirman, Matteo Cargnello, Simon R. Bare, Joanna Aizenberg, Cynthia M. Friend, Anatoly I. Frenkel. Nano Letters, 19, 520-529. 2019.
pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper. Xinyan Liu, Philomena Schlexer, Jianping Xiao, Yongfei Ji, Lei Wang, Robert B. Sandberg, Michael Tang, Kristopher S. Brown, Hongjie Peng, Stefan Ringe, Christopher Hahn, Thomas F. Jaramillo, Jens K. Nørskov , Karen Chan. Nature Communications, 10. 2019.
CaSnO3: An Electrocatalyst for Two-Electron Water Oxidation Reaction to Form H2O2. So Yeon Park, Hadi Abroshan, Xinjian Shi, Hyun Suk Jung, Samira Siahrostami, Xiaolin Zheng. ACS Energy Letters, 4, 352-357. 2019.