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Electrocatalysis
At Suncat we are developing a methodology for analyzing electrochemical reactions at surfaces with density functional theory. We utilize this methodology to understand elementary electrochemical processes at the solid-liquid interface and to computationally search for novel electrocatalytic materials. We particularly focus on fuel cell chemistry, electrolysis, electrochemical synthesis of hydrocarbons, and electrocatalytic ammonia production as a small-scale alternative to the Haber-Bosch process.
Publications
Electrodialysis and nitrate reduction (EDNR) to enable distributed ammonia manufacturing from wastewaters.
Jinyu Guo, Matthew J. Liu, Chloe Laguna, Dean M. Miller, Kindle S. Williams, Brandon D. Clark, Carolina Muñoz, Sarah J. Blair, Adam C. Nielander, Thomas F. Jaramillo, William A. Tarpeh. Energy and Environmental Science. 2024
Addressing challenges for operating electrochemical solar fuels technologies under variable and diurnal conditions.
Kyra M. K. Yap, Sol A Lee, Tobias A. Kistler, Darci K. Collins, Emily L. Warren, Harry A. Atwater, Thomas F. Jaramillo, Chengxiang Xiang, Adam C. Nielander. Frontiers in Energy Research. 2024
In situ formation of liquid crystal interphase in electrolytes with soft templating effects for aqueous dual-electrode-free batteries.
Yuqi Li, Xueli Zheng, Evan Z. Carlson, Xin Xiao, Xiwen Chi, Louisa C. Greenburg, Ge Zhang, Elizabeth Zhang, Chenwei Liu, Yufei Yang, Mun Sek Kim, Guangxia Feng, Pu Zhang, Hance Su, Xun Guan, Jiawei Zhou, Yecun Wu, Zhichen Xue, Weiyu Li, Michal Bajdich, Yi Cui. Nature Energy. 2024
CO2 Conversion to Butene via a Tandem Photovoltaic–Electrochemical/Photothermocatalytic Process: A Co-Design Approach to Coupled Microenvironments.
Kyra M. K. Yap, Aisulu A. Aitbekova, Matthew Salazar, Tobias A. Kistler, Melane Rodriguez Pabon, Magel P. Su, Nicholas B. Watkins, Sang-Won Lee, Peter Agbo, Adam Z. Weber, Jonas C. Peters, Theodor Agapie, Adam C. Nielander, Harry A. Atwater, Thomas F. Jaramillo, Alexis T. Bell. ACS Energy Letters. 2024
Alkali Cation-Induced Cathodic Corrosion in Cu Electrocatalysts.
Liu, S., Li, Y., Wang, D., Xi, S., Xu, H., Wang, Y., Li, X., Zang, W., Liu, W., Su, M., Yan, K., Nielander, A. C., Wong, A. B., Lu, J., Jaramillo, T. F., Wang, L., Canepa, P., He, Q.. Nature Communications . 2024
Sub-Volt Conversion of Activated Biochar and Water for H2 Production near Equilibrium via Biochar-Assisted Water Electrolysis.
Kani, N. C., Chauhan, R., Olusegun, S. A., Sharan, I., Katiyar, A., House, D. W., Lee, S.-W., Jairamsingh, A., Bhawnani, R. R., Choi, D., Nielander, A. C., Jaramillo, T. F., Lee, H.-S., Oroskar, A., Srivastava, V. C., Sinha, S., Gauthier, J. A., Singh, M. R.. Cell Reports Physical Science. 2024
Coverage, repulsion, and reactivity of hydrogen on High-Entropy alloys.
Frederik C Østergaard, Frank Abild-Pedersen, Jan Rossmeisl. Journal of Catalysis. 2024
Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance.
Shyam Deo, Melissa Kreider, Gaurav Kamat, McKenzie Hubert, José A. Zamora Zeledón, Lingze Wei, Jesse Matthews, Nathaniel Keyes, Ishaan Singh, Thomas Jaramillo, Frank Abild-Pedersen, Michaela Burke Stevens, Kirsten Winther, Johannes Voss. ChemPhysChem. 2024
Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors.
Benjamin M. Comer, Neha Bothra, Jaclyn R. Lunger, Frank Abild-Pedersen, Michal Bajdich, Kirsten T. Winther. ACS Catalysis. 2024
Modeling diurnal and annual ethylene generation from solar-driven electrochemical CO2 reduction devices.
Kyra M. K. Yap, William J. Wei, Melanie Rodriguez Pabon, Alex J. King, Justin C. Bui, Lingze Wei, Sang-Won Lee, Adam Z. Weber, Alexis T. Bell, Adam C. Nielander, Thomas F. Jaramillo. Energy and Environmental Science. 2024
Understanding the Electronic and Structural Effects in ORR Intermediate Binding on Anion-Substituted Zirconia Surfaces.
Sukanya Sinha, Tejs Vegge, Kirsten T. Winther, Heine Anton Hansen. ChemPhysChem. 2024
Multi-scale physics of bipolar membranes in electrochemical processes.
Justin C. Bui, Eric W. Lees, Daniela H. Marin, Nathan T. Stovall, Lihaokun Chen, Ahmet Kusoglu, Adam C. Nielander, Thomas F. Jaramillo, Shannon W. Boettcher, Alexis T. Bell, Adam Z. Weber. Nature Chemical Engineering. 2024
Controlling Mass Transport in Direct Carbon Dioxide Zero-Gap Electrolyzers via Cell Compression.
Dong Un Lee, Bjørt Joensen, Joel Jenny, Victoria M. Ehlinger, Sang-Won Lee, Kabir Abiose, Yi Xu, Amitava Sarkar, Tiras Y. Lin, Christopher Hahn, and Thomas F. Jaramillo. ACS Sustainable Chemistry & Engineering. 2023
Protocol for assembling and operating bipolar membrane water electrolyzers.
Isabela Rios Amador, Ryan T. Hannagan, Daniela H. Marin, Joseph T. Perryman, Charline Remy, McKenzie A. Hubert, Grace A. Lindquist, Lihaokun Chen, Michaela Burke Stevens, Shannon W Boettcher, Adam C. Nielander, Thomas F. Jaramillo. STAR Protocols. 2023
Calcium-mediated nitrogen reduction for electrochemical ammonia synthesis.
Xianbao Fu, Valerie A. Niemann, Yuanyuan Zhou, Shaofeng Li, Ke Zhang, Jakob B. Pedersen, Mattia Saccoccio, Suzanne Z. Andersen, Kasper Enemark-Rasmussen, Peter Benedek, Aoni Xu, Niklas H. Diessler, Jon Bjarke Mygind, Adam C. Nielander, Jakob Kibsgaard, Peter C.K. Vesborg, Jens K. Norskov, Thomas F. Jaramillo, Ib Chorkendorff. Nature Materials. 2023
Quantifying Influence of the Solid-Electrolyte Interphase in Ammonia Electrosynthesis.
Eric J. McShane, Valerie Niemann, Peter Benedek, Xianbao Fu, Adam C. Nielander, Ib Chorkendorff, Thomas F. Jaramillo, Matteo Cargnello. ACS Energy Letters. 2023
Synergistic Effects of Mixing and Strain in High Entropy Spinel Oxides for Oxygen Evolution Reaction.
Jihyun Baek , Md Delowar Hossain , Pinaki Mukherjee, Junghwa Lee , Kirsten Winther , Juyoung Leem , Yue Jiang , William Chueh , Michal Bajdich, Xiaolin Zheng. Nature Communications. 2023
A Comparative Study of Electrical Double Layer Effects for CO Reduction Reaction Kinetics.
Viswanath Pasumarthi, Henry Yu, Sneha A Akhade, Frank Abild-Pedersen, Joel B Varley, Michal Bajdich. Journal of Physical Chemistry C. 2023
Development of a versatile electrochemical cell for in situ grazing-incidence X-ray diffraction during non-aqueous electrochemical nitrogen reduction.
Sarah J. Blair, Adam C. Nielander, Kevin H. Stone, Melissa E. Kreider, Valerie A. Niemann, Peter Benedek, Eric J. McShane, Alessandro Gallo, Thomas F. Jaramillo. Journal of Synchrotron Radiation. 2023
Tracking the Dynamics of a Ag-MnOx Oxygen Reduction Catalyst Using In Situ and Operando X-ray Absorption Near-Edge Spectroscopy.
Johanna Schroeder, Jose A. Zamora Zeledon, Gaurav A. Kamat, Melissa E. Kreider, Lingze Wei, Aniket S. Mule, Armando Torres, Kyra Yap, Dimosthenis Sokaras, Alessandro Gallo, Michaela Burke Stevens , Thomas F. Jaramillo . ACS Energy Letters. 2023
FEFOS: A method to derive oxide formation energies from oxidation states.
Michael John Craig, Felix Kleuker, Michal Bajdich , Max Garcia-Melchor . Catalysis Science & Technology. 2023
Co-Designing Electrocatalytic Systems with Separations To Improve the Sustainability of Reactive Nitrogen Management.
Valerie Niemann, Peter Benedek, Jinyu Guo, Y. Xu, Sarah Blair, Elizabeth Corson, Adam Nielander, Thomas Jaramillo, William Tarpeh. ACS Catalysis. 2023
Hydrogen production with seawater-resilient bipolar membrane electrolyzers.
Daniela H. Marin, Joseph T. Perryman, McKenzie A. Hubert, Grace A. Lindquist, Lihaokun Chen, Ashton M. Aleman, Gaurav A. Kamat, Valerie A. Niemann, Michaela Burke Stevens, Yagya N. Regmi, Shannon W. Boettcher, Adam C. Nielander, Thomas F. Jaramillo. Joule. 2023
Reliable reporting of Faradaic efficiencies for electrocatalysis research.
Paul Kempler, Adam C. Nielander. Nature Communications. 2023
Material Changes in Electrocatalysis: An In Situ/Operando Focus on the Dynamics of Cobalt-Based Oxygen Reduction and Evolution Catalysts.
Melissa E. Kreider, Michaela Burke Stevens. ChemElectroChem. 2022
Resolving Atomistic Structure and Oxygen Evolution Activity in Nickel Antimonates.
Karun K. Rao, Lan Zhou , Yungchieh Lai , Matthias Richter , Xiang Li , Yubing Lu, Junko Yano , John Gregoire , Michal Bajdich. Journal of Materials Chemistry A . 2023
Selectivity of Electrochemical Ion Insertion into Manganese Dioxide Polymorphs.
Evan Z. Carlson, William C. Chueh, J. Tyler Mefford, Michal Bajdich. ACS Applied Materials & Interfaces . 2022
Understanding the Stability of Manganese Chromium Antimonate Electrocatalysts through Multimodal In Situ and Operando Measurements.
Melissa E. Kreider, Gaurav A. Kamat, Jose A. Zamora Zeledon, Lingze Wei, Dimosthenis Sokaras, Alessandro Gallo, Michaela Burke Stevens, Thomas Jaramillo. Journal of the American Chemical Society. 2022
A Versatile Li0.5FePO4 Reference Electrode for Nonaqueous Electrochemical Conversion Technologies.
Eric J. McShane, Peter Benedek, Valerie A. Niemann, Sarah J. Blair, Gaurav A. Kamat, Adam C. Nielander, Thomas F. Jaramillo, Matteo Cargnello. ACS Energy Letters. 2022
Investigation of the Structure of Atomically Dispersed NiNx Sites in Ni and N-Doped Carbon Electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations.
David M. Koshy, Md Delowar Hossain, Ryo Masuda, Yoshitaka Yoda, Leland B. Gee, Kabir Abiose, Huaxin Gong, Ryan Davis, Makoto Seto, Alessandro Gallo, Christopher Hahn, Michal Bajdich, Zhenan Bao, Thomas F. Jaramillo. JACS. 2022
Strategies for Modulating the Catalytic Activity and Selectivity of Manganese Antimonates for the Oxygen Reduction Reaction.
Melissa E. Kreider, G.T. Kasun Kalhara Gunasooriya, Yunzhi Liu, Jose A. Zamora Zeledon, Eduardo Valle, Chengshuang Zhou, Joseph H. Montoya, Alessandro Gallo, Robert Sinclair, Jens K. Norskov, Michaela Burke Stevens, Thomas F. Jaramillo. ACS Catalysis. 2022
Acid anion electrolyte effects on platinum for oxygen and hydrogen electrocatalysis.
Gaurav A. Kamat, Jose A. Zamora Zeledon, G. T. Kasun Kalhara Gunasooriya, Samuel M. Dull, Joseph T. Perryman, Jens K. Norskov, Michaela Burke Stevens, Thomas F. Jaramillo. Communications Chemistry. 2022
New challenges in oxygen reduction catalysis: a consortium retrospective to inform future research.
Michaela Burke Stevens, Megha Anand, Melissa E. Kreider, Eliza K. Price, Jose A. Zamora Zeledon, Liang Wang, Jiayu Peng, Hao Li, John M. Gregoire, Jens Hummelshoj, Thomas F. Jaramillo, Hongei Jia, Jens K. Norskov, Yuriy Roman-Leshkov, Yang Shao-Horn, Brian D. Storey, Santosh K. Suram, Steven B. Torrisi, Joseph H. Montoya. Energy & Environmental Science. 2022
Addressing solar photochemistry durability with an amorphous nickel antimonate photoanode.
Lan Zhou, Elizabeth A. Peterson, Karun K. Rao, Yubing Lu, Xiang Li, Yungchieh Lai, Sage R. Bauers, Matthias H. Richter, KevinKan , Yu Wang , Paul F. Newhouse, Junko Yano, Jeffrey B. Neaton, Michal Bajdich, John M. Gregoire. Cell Reports Physical Science. 2022
Efficient and Stable Acidic Water Oxidation Enabled by Low-Concentration, High-Valence Iridium Sites.
Xinjian Shi, Hong-Jie Peng, Thomas J. P. Hersbach, Yue Jiang, Jihyun Baek, Kirsten T. Winther, Dimosthenis Sokaras, Xiaolin Zheng, Michal Bajdich. ACS Energy Letters. 2022
Methods—A Practical Approach to the Reversible Hydrogen Electrode Scale.
Jose Zamora Zeledon, Ariel Jackson, Michaela Burke Stevens, Gaurav Kamat, Thomas Jaramillo. . 2022
Enhancing the connection between computation and experiments in electrocatalysis.
Joaquin Resasco, Frank Abild-Pedersen, Christopher Hahn, Zhenan Bao, Marc Koper, Thomas F Jaramillo. Nature Catalysis. 2022
Lithium-Mediated Electrochemical Nitrogen Reduction: Tracking Electrode–Electrolyte Interfaces via Time-Resolved Neutron Reflectometry.
Sarah J. Blair, Mathieu Doucet, James F. Browning, Kevin Stone, Hanyu Wang, Candice Halbert, Jaime Aviles Acosta, Jose Zamora Zeledon, Adam C. Nielander, Alessandro Gallo, Thomas F. Jaramillo. ACS Energy Letters. 2022
Unraveling Electronic Trends in O* and OH* Surface Adsorption in the MO2 Transition-Metal Oxide Series.
Benjamin M. Comer, Jiang Li, Frank Abild-Pedersen, Michal Bajdich, and Kirsten T. Winther . Journal of Physical Chemistry C. 2022
Cation-Dependent Multielectron Kinetics of Metal Oxide Splitting.
Jaclyn R. Lunger, Naomi Lutz, Jiayu Peng, Michal Bajdich, Yang Shao-Horn. Chemistry of Materials . 2022
First-Row Transition Metal Antimonates for the Oxygen Reduction Reaction.
G.T. Kasun Kalhara Gunasooriya, Melissa E. Kreider, Yunzhi Liu, Jose A. Zamora Zeledon, Zhenbin Wang, Eduardo Valle, An-Chih Yang, Alessandro Gallo, Robert Sinclair, Michaela Burke Stevens, Thomas F. Jaramillo, Jens K. Norskov. ACS Nano. 2022
Catalytic Performance and Near-Surface X-ray Characterization of Titanium Hydride Electrodes for the Electrochemical Nitrate Reduction Reaction.
Matthew J Liu, Jinyu Guo, Adam S Hoffman, Joakim Halldin Stenlid, Michael T Tang, Elizabeth R Corso, Kevin H Stone, Frank Abild-Pedersen, Simon R Bare, William A Tarpeh. Journal of the American Chemical Society. 2022
Trends in oxygenate/hydrocarbon selectivity for electrochemical CO (2) reduction to C2 products.
Hong-Jie Peng, Michael T Tang, Joakim Halldin Stenlid, Xinyan Liu, Frank Abild-Pedersen. Nature Communication. 2022
Engineering metal–metal oxide surfaces for high-performance oxygen reduction on Ag–Mn electrocatalysts.
Jose A. Zamora Zeledon, G.T. Kasun Kalhara Gunasooriya, Gaurav A. Kamat, Melissa E. Kreider, Micha Ben-Naim, McKenzie A. Hubert, Jaime E. Aviles Acosta, Jens K. Norskov, Michaela Burke Stevens, Thomas F. Jaramillo. Energy & Environmental Science. 2022
Characterization of a Dynamic Y2Ir2O7 Catalyst during the Oxygen Evolution Reaction in Acid.
McKenzie A. Hubert, Alessandro Gallo, Yunzhi Liu, Eduardo Valle, Joel Sanchez, Dimosthenis Sokaras, Robert Sinclair, Laurie A. King, Thomas F. Jaramillo. The Journal of Physical Chemistry C. 2022
Overcoming Hurdles in Oxygen Evolution Catalyst Discovery via Codesign.
Karun K. Rao, Yungchieh Lai, Lan Zhou, Joel A. Haber, Michal Bajdich, John M. Gregoire. ACS Chemistry of Materials. 2022
Demonstration of photoreactor platform for on-sun unassisted photoelectrochemical hydrogen generation with tandem III–V photoelectrodes.
Ben-Naim, Micha, Aldridge, Chase, Steiner, Myles A., Nielander, Adam C., Deutsch, Todd G., Young, James L., Jaramillo, Thomas F.. Chem Catalysis. 2022
Engineering Surface Architectures for Improved Durability in III−V Photocathodes.
Ben-Naim, Micha, Aldridge, Chase, Steiner, Myles A., Britto, Reuben J., Nielander, Adam C., King, Laurie A., Deutsch, Todd G., Young, James L., Jaramillo, Thomas F.. ACS Applied Materials and Interfaces. 2022
Designing a Zn–Ag Catalyst Matrix and Electrolyzer System for CO2 Conversion to CO and Beyond.
Sarah Lamaison, David Wakerley, Frauke Kracke, Thomas Moore, Lan Zhou, Dong Un Lee, Lei Wang, McKenzie Hubert, Jaime E. Aviles Acosta, John M. Gregoire, Eric B. Duoss, Sarah Baker, Victor A. Beck, Alfred M. Spormann, Marc Fontecave, Christopher Hahn, Thomas F. Jaramillo. Advanced Materials. 2021
Improving intrinsic oxygen reduction activity and stability: Atomic layer deposition preparation of platinum-titanium alloy catalysts.
Yongmin Kim, Shicheng Xu, Joonsuk Park, Anup Lal Dadlani, Olga Vinogradova, Dilip Krishnamurthy, Marat Orazov, Dong Un Lee, Sam Dull, Peter Schindler, Hyun Soo Han, Zhaoxuan Wang, Tanja Graf, Thomas D. Schladt, Jonathan E. Mueller, Ritimuka Sarangi, Ryan Davis, Ventkatasubramanian Viswanathan, Thomas F. Jaramillo, Drew C. Higgins, Fritz B. Prinz. Applied Catalysis B: Environmental. 2022
Chemical Modifications of Ag Catalyst Surfaces with Imidazolium Ionomers Modulate H2 Evolution Rates during Electrochemical CO2 Reduction.
David M. Koshy, Sneha A. Akhade, Adam Shugar, Kabir Abiose, Jingwei Shi, Siwei Liang, James S. Oakdale, Stephen E. Weitzner, Joel B. Varley, Eric B. Duoss, Sarah E. Baker, Christopher Hahn, Zhenan Bao, Thomas F. Jaramillo. Journal of the American Chemical Society. 2021
Origin of Enhanced Water Oxidation Activity in an Iridium Single Atom Anchored on NiFe Oxyhydroxide Catalyst.
Xueli Zheng, Jing Tang, Alessandro Gallo, Jose A. Garrido Torres, Xiaoyun Yu, Constantine J. Athanitis, Emily May Been, Peter Ercius, Haiyan Mao, Sirine C. Fakra, Chengyu Song, Ryan C. Davis, Jeffrey A. Reimer, John Vinson, Michal Bajdich, Yi Cui. Proceedings of the National Academy of Sciences. 2021
Guiding the Catalytic Properties of Copper for Electrochemical CO2 Reduction by Metal Atom Decoration.
Yusaku F. Nishimura, Hong-Jie Peng, Stephanie Nitopi, Michal Bajdich, Lei Wang, Carlos G. Morales-Guio, Frank Abild-Pedersen, Thomas F. Jaramillo, Christopher Hahn. ACS Appl. Mater. Interfaces. 2021
Dynamics and Hysteresis of Hydrogen Intercalation and Deintercalation in Palladium Electrodes: A Multimodal In Situ X-ray Diffraction, Coulometry, and Computational Study.
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. Chemistry of Materials . 2021
Probing the Effects of Acid Electrolyte Anions on Electrocatalyst Activity and Selectivity for the Oxygen Reduction Reaction.
Zamora Zeledon, Jose A., Kamat, Gaurav Ashish, Gunasooriya, G. T. Kasun, Norskov, Jens K., Stevens, Michaela Burke, Jaramillo, Thomas F.. ChemElectroChem. 2021
Understanding Degradation Mechanisms in SrIrO3 Oxygen Evolution Electrocatalysts: Chemical and Structural Microscopy at the Nanoscale.
Ben-Naim, Micha, Liu, Yunzhi, Burke Stevens, Michaela, Lee, Kyuho, Wette, Melissa R., Boubnov, Alexey, Trofimov, Artem, Ievlev, Anton V., Belianinov, Alex, Davis, Ryan C., Clemens, Bruce M., Bare, Simon R., Hikita, Yasuyuki, Hwang, Harold Y., Higgins, Drew C., Sinclair, Robert, Jaramillo, Thomas F.. Advanced Functional Materials. 2021
Direct Integration of Strained-Pt Catalysts into Proton-Exchange-Membrane Fuel Cells with Atomic Layer Deposition.
Xu, Shicheng, Wang, Zhaoxuan, Dull, Sam, Liu, Yunzhi, Lee, Dong Un, Lezama Pacheco, Juan S., Orazov, Marat, Vullum, Per Erik, Dadlani, Anup Lai, Vinogradova, Olga, Schindler, Peter, Tan, Qizhan, Schladt, Thomas D., Mueller, Jonathan E., Kirsch, Sebastian, Huebner, Gerold, Higgins, Drew, Torgensen, Jan, Viswanathan, Venkatasubramanian, Jaramillo, Thomas Francisco, Prinz, Fritz B.. Advanced Materials. 2021
Isolating the Electrocatalytic Activity of a Confined NiFe Motif within Zirconium Phosphate.
Joel Sanchez , Michaela Burke Stevens , Alexandra R. Young, Alessandro Gallo , Meng Zhao , Yunzhi Liu , Mario V. Ramos‐Garcés , Micha Ben‐Naim , Jorge L. Colón , Robert Sinclair, Laurie A. King, Michal Bajdich, Thomas F. Jaramillo. Adv. Energy Mater.. 2021
Bridging thermal catalysis and electrocatalysis: Catalyzing CO2 conversion with carbon‐based materials.
David M. Koshy, Sindhu Nathan, Arun Asundi, Ahmed Abdellah, Samuel Dull, David Cullen, Drew Higgins, Zhenan Bao, Stacey Bent, Thomas F. Jaramillo. Angewandte Chemie International Edition. 2021
Epitaxial Stabilization and Oxygen Evolution Reaction Activity of Metastable Columbite Iridium Oxide.
Kyuho Lee, Raul A. Flores, Yunzhi Liu, Bai Yang Wang, Yasuyuki Hikita, Robert Sinclair, Michal Bajdich, Harold Y. Hwang. ACS Applied Energy Materials. 2021
Advanced manufacturing for electrosynthesis of fuels and chemicals from CO2.
Daniel Corral, Jeremy T. Feaster, Sadaf Sobhani, Joshua R. DeOtte, Dong Un Lee, Andrew A. Wong, Julie Hamilton, Victor A. Beck, Amitava Sarkar, Christopher Hahn, Thomas F. Jaramillo, Sarah E. Baker, Eric B. Duoss. Energy and Environmental Science. 2021
A refraction correction for buried interfaces applied to in situ grazing-incidence X-ray diffraction studies on Pd electrodes.
Alan T. Landers, David M. Koshy, Soo Hong Lee, Walter S. Drisdell, Ryan C. Davis, Christopher Hahn, Apurva Mehta, Thomas F. Jaramillo. Journal of Synchrotron Radiation. 2021
Tuning the electronic structure of Ag-Pd alloys to enhance performance for alkaline oxygen reduction.
José A. Zamora Zeledón, Michaela Burke Stevens, G. T. Kasun Kalhara Gunasooriya, Alessandro Gallo, Alan T. Landers, Melissa E. Kreider, Christopher Hahn, Jens K. Nørskov, Thomas F. Jaramillo. Nature Communication. 2021
Oxidation State and Surface Reconstruction of Cu under CO2 Reduction Conditions from In Situ X-ray Characterization.
Soo Hong Lee, John C. Lin, Maryam Farmand, Alan T. Landers, Jeremy T. Feaster, Jaime E. Avilés Acosta, Jeffrey W. Beeman, Yifan Ye, Junko Yano, Apurva Mehta, Ryan C. Davis, Thomas F. Jaramillo, Christopher Hahn, Walter S. Drisdell. Journal of the American Chemical Society. 2021
CO as a Probe Molecule to Study Surface Adsorbates during Electrochemical Oxidation of Propene.
Anna Winiwarter, Michael J. Boyd , Soren B. Scott, Drew C. Higgins , Brian Seger, Ib Chorkendorff, Thomas F. Jaramillo. ChemElectroChem. 2021
Understanding Degradation Mechanisms in SrIrO3 Oxygen Evolution Electrocatalysts: Chemical and Structural Microscopy at the Nanoscale.
Micha Ben-Naim, Yunzhi Liu, Michaela Burke Stevens, Kyuho Lee, Melissa R. Wette, Alexey Boubnov, Artem A. Trofimov, Anton V. Ievlev, Alex Belianinov, Ryan C. Davis, Bruce M. Clemens, Simon R. Bare, Yasuyuki Hikita, Harold Y. Hwang, Drew C. Higgins, Robert Sinclair, Thomas F. Jaramillo. Advanced Functional Materials . 2021
Identifying and Tuning the In Situ Oxygen-Rich Surface of Molybdenum Nitride Electrocatalysts for Oxygen Reduction.
Michaela Burke Stevens , Melissa E. Kreider, Anjli M. Patel, Zhenbin Wang, Yunzhi Liu, Brenna M. Gibbons, Michael J. Statt, Anton V. Ievlev, Robert Sinclair, Apurva Mehta, Ryan C. Davis, Jens K. Norskov, Alessandro Gallo, Laurie A. King, Thomas F. Jaramillo. ACS Applied Energy Materials. 2020
The Role of Atomic Carbon in Directing Electrochemical CO(2) Reduction to Multicarbon Products.
Hongjie Peng, Michael T. Tang, Xinyan Liu, Philomena Schlexer Lamoureux, Michal Bajdich, Frank Abild-Pedersen . Energy & Environmental Science. 2020
Atomistic Insight into Cation Effects on Binding Energies in Cu-Catalyzed Carbon Dioxide Reduction.
Thomas Ludwig, Joseph A. Gauthier, Colin F. Dickens, Kristopher S. Brown, Stefan Ringe, Karen Chan, Jens K. Nørskov. Journal of Physical Chemistry C. . 2020
Scaling Relationships and Volcano Plots in Homogeneous Catalysis.
Megha Anand, Brian A. Rohr, Michael J. Statt, Jens K. Nørskov. The Journal of Physical Chemistry Letters. 2020
Cobalt Porphyrin Intercalation into Zirconium Phosphate Layers for Electrochemical Water Oxidation.
Isabel Barraza Alvarez, Yanyu Wu, Joel Sanchez, Yulu Ge, Mario V. Ramos-Garcés, Tong Chu, Thomas F. Jaramillo, Jorge L. Colón , Dino Villagrán . Sustainable Energy and Fuels. 2020
Nanosized Zirconium Porphyrinic Metal–Organic Frameworks that Catalyze the Oxygen Reduction Reaction in Acid.
Gan Chen, Michaela Burke Stevens, Yunzhi Liu, Laurie A. King, Jihye Park, Taeho Roy Kim, Robert Sinclair, Thomas F. Jaramillo, Zhenan Bao. Small Methods. 2020
Acidic Oxygen Evolution Reaction Activity–Stability Relationships in Ru-Based Pyrochlores.
McKenzie A. Hubert, Anjli M. Patel, Alessandro Gallo, Yunzhi Liu, Eduardo Valle, Micha Ben-Naim, Joel Sanchez, Dimosthenis Sokaras, Robert Sinclair, Jens K. Nørskov, Laurie A. King, Michal Bajdich, Thomas F. Jaramillo. ACS Catal.. 2020
Direct Characterization of Atomically Dispersed Catalysts: Nitrogen‐Coordinated Ni Sites in Carbon‐Based Materials for CO2 Electroreduction.
David M. Koshy, Alan T. Landers, David A. Cullen, Anton V. Ievlev, Harry M. Meyer III, Christopher Hahn, Zhenan Bao, Thomas F. Jaramillo. Advanced Energy Materials. 2020
From electricity to fuels: Descriptors for C1 selectivity in electrochemical CO2 reduction.
Michael T. Tang, Hongjie Peng, Philomena Schlexer Lamoureux, Michal Bajdich, Frank Abild-Pedersen. Applied Catalysis B: Environmental. 2020
Addressing the Stability Gap in Photoelectrochemistry: Molybdenum Disulfide Protective Catalysts for Tandem III-V Unassisted Solar Water Splitting.
Micha Ben-Naim, Reuben J. Britto, Chase W. Aldridge, Rachel Mow, Myles A. Steiner, Adam C. Nielander, Laurie A. King, Daniel J. Friedman, Todd G. Deutsch, James L. Young, Thomas F. Jaramillo. ACS Energy Letters. 2020
Readily Constructed Glass Piston Pump for Gas Recirculation.
Adam C. Nielander, Sarah J. Blair, Joshua M. McEnaney, Jay A. Schwalbe, Tom Adams, Sawson Taheri, Lei Wang, Sungeun Yang, Matteo Cargnello, Thomas F. Jaramillo. ACS Omega. 2020
Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction.
Raul A. Flores, Christopher Paolucci, Kirsten T. Winther, Ankit Jain, Jose Antonio Garrido Torres, Muratahan Aykol, Joseph H. Montoya, Jens K. Nørskov, Michal Bajdich, Thomas Bligaard. Journal of Chemistry of Materials. 2020
Electric Field Effects in Oxygen Reduction Kinetics: Rationalizing pH Dependence at the Pt(111), Au(111) and Au(100) Electrodes.
Sara R. Kelly, Charlotte Kirk, Karen Chan, Jens K. Nørskov. Journal of Physical chemistry C. 2020
Highly Active Bifunctional Oxygen Electrocatalytic Sites Realized in Ceria–Functionalized Graphene.
Simranjit Grewal, Angela Macedo Andrade, Ziqi Liu, Jose Antonio Garrido Torres, Art J. Nelson, Ambarish Kulkarni, Michal Bajdich, Min Hwan Lee. Advanced Sustainable Systems . 2020
In Situ X-Ray Absorption Spectroscopy Disentangles the Roles of Copper and Silver in a Bimetallic Catalyst for the Oxygen Reduction Reaction.
Brenna M. Gibbons, Melissa Wette, Michaela Burke Stevens, Ryan C. Davis, Samira Siahrostami, Melissa E. Kreider, Apurva Mehta, Drew C. Higgins, Bruce M. Clemens, Thomas F. Jaramillo. Chemistry of Materials. 2020
Electrolyte Engineering for Efficient Electrochemical Nitrate Reduction to Ammonia on a Titanium Electrode.
Joshua M. McEnaney, Sarah J. Blair, Adam C. Nielander, Jay A. Schwalbe, David M. Koshy, Matteo Cargnello, Thomas F. Jaramillo. ACS Sustainable Chemistry & Engineering. 2020
Using Microenvironments to Control Reactivity in CO2 Electrocatalysis.
Christopher Hahn, Thomas F. Jaramillo. Joule. 2020
Micro-Kinetic Model of Electrochemical Carbon Dioxide Reduction over Platinum in Non-Aqueous Solvents.
Brian Andrew Rohr, Aayush R. Singh, Joseph A Gauthier, Michale John Statt, Jens K. Nørskov. Physical Chemistry Chemical Physics. 2020
Selective reduction of CO to acetaldehyde with CuAg electrocatalysts.
Lei Wang, Drew C. Higgins, Yongfei Ji, Carlos G. Morales-Guio, Karen Chan, Christopher Hahn, Thomas F. Jaramillo. Proceedings of the National Academy of Sciences. 2020
A Spin Coating Method To Deposit Iridium-Based Catalysts onto Silicon for Water Oxidation Photoanodes.
Micha Ben-Naim, David W. Palm, Alaina L. Strickler, Adam C. Nielander, Joel Sanchez, Laurie A. King, Drew C. Higgins, Thomas F. Jaramillo. ACS Applied Materials & Interfaces. 2020
Interpreting Tafel Behavior of Consecutive Electrochemical Reactions through Combined Thermodynamic and Steady State Microkinetic Approaches.
J. Tyler Mefford, Zhenghang Zhao, Michal Bajdich, William C. Chueh. Energy & Environmental Science. 2020
Understanding the Origin of Highly Selective CO2 Electroreduction to CO on Ni, N-doped Carbon Catalysts.
David M. Koshy, Shucheng Chen, Dong Un Lee, Michaela Burke Stevens, Ahmed M. Abdellah, Samuel M. Dull, Gan Chen, Dennis Nordlund, Alessandro Gallo, Christopher Hahn, Drew C. Higgins, Zhenan Bao, Thomas F. Jaramillo. Angewandte Chemie International Edition. 2020
Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold.
Stefan Ringe, Carlos G. Morales-Guio, Leanne D. Chen, Meredith Fields, Thomas F. Jaramillo, Christopher Hahn, Karen Chan. Nature Communications. 2020
Mechanisms of two-electron and four-electron electrochemical oxygen reduction reactions at nitrogen-doped reduced graphene oxide.
HW Kim, VJ Bukas, H Park, S Park, KM Diederichsen, J Lim, YH Cho, J Kim, W Kim, TH Han, J Voss, AC Luntz, BD McCloskey. ACS Catalysis. 2020
Synergistic enhancement of electrocatalytic CO2 reduction to C2 oxygenates at nitrogen-doped nanodiamonds/Cu interface.
Hongxia Wang, Yan-Kai Tzeng, Yongfei Ji, Yanbin Li, Jun Li, Xueli Zheng, Ankun Yang, Yayuan Liu, Yongji Gong, Lili Cai, Yuzhang Li, Xiaokun Zhang, Wei Chen, Bofei Liu, Haiyu Lu, Nicholas A. Melosh, Zhi-Xun Shen, Karen Chan, Tianwei Tan, Steven Chu, Yi Cui. Nature Nanotechnology. 2020
Morphology control of metal-modified zirconium phosphate support structures for the oxygen evolution reaction.
Mario V. Ramos-Garcés, Joel Sanchez, Kálery La Luz-Rivera, Daniel E. Del Toro-Pedrosa, Thomas F. Jaramillo, Jorge L. Colón. Dalton Transactions. 2020
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
Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics.
Joseph A. Gauthier, Colin F. Dickens, Hendrik H. Heenen, Sudarshan Vijay, Stefan Ringe, Karen Chan. Journal of Chemical Theory and Computation. 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
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. 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
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. 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. 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
Strategies toward Selective Electrochemical Ammonia Synthesis.
Aayush Singh, Brian Andrew Rohr, Michael Statt, Jay A Schwalbe, Matteo Cargnello , Jens K. Nørskov. ACS Catalysis. 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. 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. 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. 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
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. 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. 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. 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. 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. 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. 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. 2019
Noble metal supported hexagonal boron nitride for the oxygen reduction reaction: a DFT study.
Seoin Back, Samira Siahrostami. Nanoscale Advances. 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. 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. 2019
Prediction of stable and active (oxy-hydro) oxide nanoislands on noble metal supports for electrochemical oxygen reduction reaction.
Seoin Back, Martin H. Hansen, Jose A. Garrido Torres, Zhenghang Zhao, Jens K. Nørskov, Samira Siahrostami, Michal Bajdich. ACS Applied Materials & Interfaces. 2018
Gas-Diffusion Electrodes for Carbon Dioxide Reduction: A New Paradigm.
Drew Higgins, Christopher Hahn, Chengxiang Xiang, Thomas F. Jaramillo, Adam Z. Weber. ACS Energy Letters. 2019
An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces.
Colin F. Dickens, Joseph H Montoya, Ambarish R Kulkarni, Michal Bajdich, Jens K. Nørskov . Surface Science. 2019
Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single Atom Catalysts.
Anjli M Patel, Stefan Ringe, Samira Siahrostami, Michal Bajdich, Jens K. Nørskov , Ambarish R Kulkarni. Journal of Physical Chemistry C. 2018
Guiding Electrochemical Carbon Dioxide Reduction Toward Carbonyls Using Copper Silver Thin Films with Interphase Miscibility.
Drew Higgins, Alan T. Landers, Yongfei Ji, Stephanie Nitopi, Carlos G. Morales-Guio, Lei Wang, Karen Chan, Christopher Hahn, Thomas F. Jaramillo. ACS Energy Letters. 2018
Combining Experiment and Theory to Unravel the Mechanism of Two-Electron Oxygen Reduction at a Selective and Active Co-Catalyst.
Vanessa Bukas, Hyo Won Kim, Robert Sengpiel, Kristian Knudsen, Johannes Voss, Bryan McCloskey, Alan Luntz. ACS Catalysis. 2018
Improved CO2 reduction activity towards C2+ alcohols on a tandem gold on copper electrocatalyst.
Carlos G. Morales-Guio, Etosha R. Cave, Stephanie A. Nitopi, Jeremy T. Feaster, Lei Wang, Kendra P. Kuhl, Ariel Jackson, Natalie C. Johnson, David N. Abram, Toru Hatsukade, Christopher Hahn, Thomas F. Jaramillo. Nature Catalysis. 2018
Strongly Modified Scaling of CO Hydrogenation in Metal Supported TiO Nanostripes.
Robert Sandberg , Martin H. Hansen, Jens K. Nørskov , Frank Abild-Pedersen, Michal Bajdich. ACS Catalysis. 2018
Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer.
Leanne D. Chen, Michal Bajdich, J. Mark P. Martirez, Caroline M. Krauter, Joseph A. Gauthier, Emily A. Carter, Alan C. Luntz, Karen Chan, Jens K. Nørskov. Nature Communications. 2018
Theoretical Investigations of Transition-Metal Surface Energies Under Lattice Strain and CO Environment.
Michael Tang, Zachary Ulissi, Karen Chan. The Journal of Physical Chemistry C. 2018
The Role of Subsurface Oxygen on Cu Surfaces for CO2 Electrochemical Reduction.
Meredith Fields, Xin Hong, Jens K Nørskov, Karen Chan. Journal of Physical Chemistry C. 2018
Designing Boron Nitride Islands in Carbon Materials for Efficient Electrochemical Synthesis of Hydrogen Peroxide.
Shucheng Chen, Zhihua Chen, Samira Siahrostami, Drew Higgins, Dennis Nordlund, Dimosthenis Sokaras, Taeho Roy Kim, Yunzhi Liu, Xuzhou Yan, Elisabeth Nilsson, Robert Sinclair, Jens K. Norskov, Thomas F. Jaramillo, Zhenan Bao. Journal of the American Chemical Society. 2018
Standards and Protocols for Data Acquisition and Reporting for Studies of the Electrochemical Reduction of Carbon Dioxide.
Ezra L. Clark, Joaquin Resasco, Alan T. Landers, John C. Lin, Linh-Thao Chung, Amber Walton, Christopher Hahn, Thomas F. Jaramillo, Alexis T. Bell. ACS Catalysis. 2018
The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO2 Reduction Conditions: An Experimental and Theoretical Study.
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. ACS Energy Letters. 2018
Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis.
Aayush Singh, Joseph H. Montoya, Brian Andrew Rohr, Charlie Tsai , Aleksandra Vojvodic, Jens K. Nørskov. ACS Catalysis. 2018
Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides.
Joseph H. Montoya, Andrew Doyle, Jens K. Nørskov, Aleksandra Vojvodic. Physical Chemistry Chemical Physics. 2018
A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis.
Shaama Mallikarjun Sharada, Aayush Singh, Brian Andrew Rohr, Yanjing Su, Lijie Qiao, Jens K. Nørskov. Physical Chemistry Chemical Physics. 2018
Spin Uncoupling in Chemisorbed OCCO and CO2–Two High-Energy Intermediates in Catalytic CO2 Reduction.
Svante Hedström, Egon Campos Dos Santos, Chang Liu, Karen Chan, Frank Abild-Pedersen, Lars GM Pettersson. The Journal of Physical Chemistry C. 2018
Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkaline Electrolytes.
Drew Higgins, Melissa Wette, Brenna M. Gibbons, Samira Siahrostami, Christopher Hahn, Maria Escudero-Escribano, Max Garcia-Melchor, Zachary Ulissi, Ryan C. Davis, Apurva Mehta, Bruce M. Clemens, Jens K. Nørskov, Thomas F. Jaramillo. ACS Applied Energy Materials. 2018
Theoretical Investigations of the Electrochemical Reduction of CO on Single Metal Atoms Embedded in Graphene.
Charlotte Kirk, Leanne D. Chen, Samira Siahrostami, Mohammadreza Karamad, Michal Bajdich, Johannes Voss, Jens K. Nørskov, Karen Chan. ACS Central Science. 2017
Single Metal Atoms Anchored in Two-Dimensional Materials: Bifunctional Catalysts for Fuel Cell Applications.
Seoin Back, Ambarish R. Kulkarni, Samira Siahrostami. Chem Cat Chem. 2018
Trends in the Catalytic Activity of Hydrogen Evolution during CO2 Electroreduction on Transition Metals.
Etosha R. Cave, Chuan Shi, Kendra P. Kuhl, Toru Hatsukade, David N. Abram, Christopher Hahn, Karen Chan, Thomas F. Jaramillo. ACS Catalysis. 2018
Ultrathin Cobalt Oxide Overlayer Promotes Catalytic Activity of Cobalt Nitride for the Oxygen Reduction Reaction.
Hadi Abroshan, Pallavi Bothra, Seoin Back, Ambarish Kulkarni, Jens K. Nørskov, Samira Siahrostami. The Journal of Physical Chemistry C. 2018
Metal ion cycling of Cu foil for selective C–C coupling in electrochemical CO2 reduction.
Kun Jiang, Robert B Sandberg, Austin J Akey, Xinyan Liu, David C Bell, Jens K Nørskov, Karen Chan, Haotian Wang. Nature Catalysis. 2018
High-efficiency oxygen reduction to hydrogen peroxide catalysed by oxidized carbon materials.
Zhiyi Lu, Guangxu Chen, Samira Siahrostami, Zhihua Chen, Kai Liu, Jin Xie, Lei Liao, Tong Wu, Dingchang Lin, Yayuan Liu, Thomas F. Jaramillo, Jens K. Nørskov, Yi Cui. Nature Catalysis. 2018
Engineering Ru@Pt Core-Shell Catalysts for Enhanced Electrochemical Oxygen Reduction Mass Activity and Stability.
Ariel Jackson, Alaina Strickler, Drew Higgins, Thomas F. Jaramillo. Nanomaterials. 2018
Defective Carbon-Based Materials for the Electrochemical Synthesis of Hydrogen Peroxide.
Shucheng Chen, Zhihua Chen, Samira Siahrostami, Taeho Roy Kim, Dennis Nordlund, Dimosthenis Sokaras, Stanislaw Nowak, John W. F. To, Drew Higgins, Robert Sinclair, Jens K. Nørskov, Thomas F. Jaramillo, Zhenan Bao. ACS Sustainable Chemistry & Engineering. 2018
Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate.
Wei Zhao, Andrew D. Doyle, Sawyer E. Morgan, Michal Bajdich, Jens K. Nørskov, Charles T. Campbell. The Journal of Physical Chemistry C. 2017
High-efficiency Oxygen Reduction to Hydrogen Peroxide Catalyzed by Oxidized Carbon Materials .
Zhiyi Lu, Guangxu Chen, Samira Siahrostami, Zhihua Chen, Kai Liu, Jin Xie, Lei Liao, Dingchang Lin, Yayuan Liu, Thomas F. Jaramillo, Jens K. Nørskov, Yi Cui. Nature Catalysis. 2017
Theoretical Investigations into Defected Graphene for electrochemical Reduction of CO2.
Samira Siahrostami, Kun Jiang, Mohammadreza Karamad, Karen Chan, Haotian Wang, Jens Nørskov. ACS Sustainable Chemistry and Engineering. 2017
Electrochemical CO2 Reduction over Compressively Strained CuAg Surface Alloys with Enhanced Multi-Carbon Oxygenate Selectivity.
Ezra L. Clark, Christopher Hahn, Thomas F. Jaramillo, Alexis T. Bell. Journal of the American Chemical Society. 2017
Building upon the Koutecky-Levich Equation for Evaluation of Next-Generation Oxygen Reduction Reaction Catalysts.
Shicheng Xu, Yongmin Kim, Drew Higgins, Maha Yusuf, Thomas F. Jaramillo, Fritz B. Prinz. Electrochimica Acta. 2017
Core–Shell Au@Metal-Oxide Nanoparticle Electrocatalysts for Enhanced Oxygen Evolution.
Alaina L. Strickler, Maria Escudero-Escribano, Thomas F. Jaramillo. Nano Letters. 2017
Understanding Activity Trends in Electrochemical Water Oxidation to form Hydrogen Peroxide.
Xinjian Shi, Samira Siahrostami, Guo-Ling Li, Yirui Zhang, Pongkarn Chakthranont, Felix Studt, Thomas F. Jaramillo, Xiaolin Zheng, Jens K. Nørskov. Nature Communications. 2017
Transition metal atoms in a graphene shell as active centers for highly efficient artificial photosynthesis.
Kun Jiang, Samira Siahrostami, Austin J. Akey, Yanbin Li, Zhiyi Lu, Judith Lattimer, Yongfeng Hu, Chris Stokes, Mahesh Gangishetty, Guangxu Chen, Yawei Zhou, Winfield Hill, Wen-Bin Cai, David Bell, Karen Chan, Jens K. Nørskov, Yi Cui, Haotian Wang. Chem. 2017
Effects of redox-active interlayer anions on the oxygen evolution reactivity of NiFe-layered double hydroxide nanosheets.
Daojin Zhou, Zhao Cai, Yongmin Bi, Weiliang Tian, Ma Luo, Qian Zhang, Qixian Xie, Jindi Wang, Yaping Li, Yun Kuang, Xue Duan, Michal Bajdich, Samira Siahrostami, Xiaoming Sun. Nano Research. 2017
Investigating Catalyst–Support Interactions To Improve the Hydrogen Evolution Reaction Activity of Thiomolybdate [Mo3S13]2– Nanoclusters.
Thomas R. Hellstern, Jakob Kibsgaard, Charlie Tsai, David W. Palm, Laurie A. King, Frank Abild-Pedersen, Thomas F. Jaramillo. ACS Catalysis. 2017
Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction.
Zachary Ulissi, Michael Tang, Jianping Xiao, Xinyan Liu, Daniel A Torelli, Mohammadreza Karamad, Kyle Cummins, Christopher Hahn, Nathan S Lewis, Thomas F Jaramillo, Karen Chan, Jens K Norskov. ACS Catalysis. 2017
Promoter effects of alkali metal cations on the electrochemical reduction of carbon dioxide.
Joaquin Resasco, Leanne D. Chen, Ezra Clark, Charlie Tsai, Christopher Hahn, Thomas Jaramillo, Karen Chan, Alexis Bell. Journal of the American Chemical Society. 2017
Effects of Gold Substrates on the Intrinsic and Extrinsic Activity of High-Loading Nickel-Based Oxyhydroxide Oxygen Evolution Catalysts.
Pongkarn Chakthranont, Jakob Kibsgaard, Alessandro Gallo, Joonsuk Park, Makoto Mitani, Dimosthenis Sokaras, Thomas Kroll, Robert Sinclair, Mogens B. Mogensen, Thomas F. Jaramillo. ACS Catalysis. 2017
Understanding the Influence of [EMIM] Cl on the Suppression of the Hydrogen Evolution Reaction on Transition Metal Electrodes.
Jeremy Feaster, Anna Jongerius, Xinyan Liu, Makoto Urushihara, Stephanie A. Nitopi, Christopher Hahn, Karen Chan, Jens K. Nørskov, Thomas F. Jaramillo. Langmuir. 2017
Engineering Cu surfaces for the electrocatalytic conversion of CO2: Controlling selectivity toward oxygenates and hydrocarbons.
Christopher Hahn, Toru Hatsukade, Youn-Geun Kim, Arturas Vailionis, Jack H. Baricuatro, Drew C. Higgins, Stephanie A. Nitopi, Manuel P. Soriaga, Thomas F. Jaramillo. Proceedings of the National Academy of Sciences. 2017
Electrochemical Activation of CO2 through Atomic Ordering Transformations of AuCu Nanoparticles.
Dohyung Kim, Chenlu Xie, Nigel Becknell, Yi Yu, Mohammadreza Karamad, Karen Chan, Ethan J Crumlin, Jens K Norskov, Peidong Yang. Journal of the American Chemical Society. 2017
Understanding trends in electrochemical carbon dioxide reduction rates.
Xinyan Liu, Jianping Xiao, Hongjie Peng, Xin Hong, Karen Chan, Jens K. Nørskov. Nature communications. 2017
Transition Metal-Modified Zirconium Phosphate Electrocatalysts for the Oxygen Evolution Reaction.
Joel Sanchez, Mario V. Ramos-Garcés, Ieva Narkeviciute, Jorge L. Colón, Thomas F. Jaramillo. Catalysts. 2017
Identifying the active surfaces of electrochemically tuned LiCoO2 for oxygen evolution reaction.
Zhiyi Lu, Guangxu Chen, Yanbin Li, Haotian Wang, Jin Xie, Lei Liao, Chong Liu, Yayuan Liu, Tong Wu, Yuzhang Li, Alan C. Luntz, Michal Bajdich, Yi Cui. Journal of American Chemical Society. 2017
Electrochemical generation of sulfur vacancies in the basal plane of MoS2 for hydrogen evolution.
Charlie Tsai, Hong Li, Sangwook Park, Joonsuk Park, Hyun Soo Han, Jens K. Nørskov, Xiaolin Zheng, Frank Abild-Pedersen. Nature Communications. 2017
Theoretical Insights to Bulk Activity Towards Oxygen Evolution in Oxyhydroxides.
Andrew D. Doyle, Michal Bajdich, Aleksandra Vojvodic. Catalysis Letters. 2017
Carbon Dioxide Electroreduction using a Silver–Zinc Alloy.
Toru Hatsukade, Kendra P. Kuhl, Etosha R. Cave, David N. Abram, Jeremy T. Feaster, Anna L. Jongerius, Christopher Hahn, Thomas F. Jaramillo. Energy Technology. 2017
One- or Two-electron Water Oxidation, Hydroxyl Radical or H2O2 Evolution.
Samira Siahrostami, Guo-Ling Li, Venkatasubramanian Viswanathan, Jens K. Nørskov. The Journal of Physical Chemistry Letters. 2017
Development of a reactor with carbon catalysts for modular-scale, low-cost electrochemical generation of H 2 O 2.
Zhihua Chen, Shucheng Chen, Samira Siahrostami, Pongkarn Chakthranont, Christopher Hahn, Dennis Nordlund, Sokaras Dimosthenis, Jens K. Nørskov, Zhenan Bao, Thomas F. Jaramillo. Reaction Chemistry & Engineering. 2017
Electrochemical Ammonia Synthesis - The Selectivity Challenge.
Aayush R. Singh, Brian A Rohr, J. A. Schwalbe, Matteo Cargnello, Karen Chan, Thomas F. Jaramillo, Ib Chorkendorff, Jens. K. Nørskov. ACS Catalysis. 2017
Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands.
J. Fester, Max Garcia-Melchor, A.S. Walton, Michal Bajdich, Z. Li, L. Lammich, Aleksandra Vojvodic, Jeppe V. Lauritsen. Nature Communications. 2017
Operando investigation of Au-MnOx thin films with improved activity for the oxygen evolution reaction.
Rasmus Frydendal, Linsey C. Seitz, D. Sokaras, T.-C. Weng, Dennis Nordlund, Ib Chorkendorff, Ifan E.L. Stephens, Thomas F. Jaramillo . Electrochimica Acta. 2017
Active and Stable Ir@Pt Core–Shell Catalysts for Electrochemical Oxygen Reduction.
Alaina L. Strickler, Ariel Jackson, Thomas F. Jaramillo. ACS Energy Letters. 2017
Combining theory and experiment in electrocatalysis: Insights into materials design .
Z.W. Seh, Jakob Kibsgaard, Colin F. Dickens, Ib Chorkendorff, Jens K. Nørskov, Thomas F. Jaramillo . Science. 2017
Materials for solar fuels and chemicals.
J.H. Montoya, L.C. Seitz, P. Chakthranont, A. Vojvodic, T.F. Jaramillo, J.K. Nørskov. Nature Materials. 2017
Direct and continuous strain control of catalysts with tunable battery electrode materials.
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. Science. 2016
High-performance oxygen reduction and evolution carbon catalysis: From mechanistic studies to device integration.
John W. F. To, Jia Wei Desmond Ng, Samira Siahrostami, Ai Leen Koh, Yangjin Lee, Zhihua Chen, Kara D. Fong, Shucheng Chen, Jiajun He, Won-Gyu Bae, Jennifer Wilcox, Hu Young Jeong, Kwanpyo Kim, Felix Studt, Jens K. Nørskov, Thomas F. Jaramillo, Zhenan Bao. Nano Research. 2017
Functional Independent Scaling Relation for ORR/OER Catalysts.
Rune Christensen, Heine A. Hansen, Colin F. Dickens, Jens K. Nørskov , Tejs Vegge. The Journal of Physical Chemistry C. 2016
CO-CO coupling on Cu facets: Coverage, strain and field effects.
Robert B. Sandberg, Joseph H. Montoya, Karen Chan, Jens K. Nørskov . Surface Science. 2016
Electric Field Effects in Electrochemical CO2 Reduction.
Leanne D. Chen, Makoto Urushihara, Karen Chan, Jens K. Nørskov. ACS Catalysis. 2016
Comparative Analysis of Cobalt Oxide Nanoisland Stability and Edge Structures on Three Related Noble Metal Surfaces: Au(111), Pt(111) and Ag(111).
Jakob Fester, Michal Bajdich, Alex S. Walton, Z. Sun, Philipp N. Plessow, Aleksandra Vojvodic, Jeppe V. Lauritsen. Topics in Catalysis. 2016
A highly active and stable IrOx/SrIrO3 catalyst for the oxygen evolution reaction.
L.C. Seitz , C.F. Dickens, K. Nishio, Y. Hikita, J. Montoya, A. Doyle, C. Kirk, A. Vojvodic, H.Y. Hwang, J.K. Nørskov, T.F. Jaramillo. Science. 2016
Barriers of Electrochemical CO2 Reduction on Transition Metals.
Chuan Shi, Karen Chan, Jong Suk Yoo, Jens K. Nørskov . Organic Process Research and Development. 2016
How Doped MoS2 Breaks Transition-Metal Scaling Relations for CO2 Electrochemical Reduction.
Xin Hong, Karen Chan, Charlie Tsai, Jens K. Nørskov . ACS Catalysis. 2016
Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution .
Z.W. Seh, K.D. Fredrickson, B. Anasori, J. Kibsgaard, A.L. Strickler, M.R. Lukatskaya, Y. Gogotsi, T.F. Jaramillo, A. Vojvodic . ACS Energy Letters. 2016
Mesoporous platinum nickel thin films with double gyroid morphology for the oxygen reduction reaction.
J. Kibsgaard, A. Jackson, T.F. Jaramillo. Nano Energy. 2016
Gold-supported cerium-doped NiOx catalysts for water oxidation.
J.W.D. Ng, M. Garcia-Melchor, M. Bajdich, P. Chakthranont, C. Kirk, A. Vojvodic, T.F. Jaramillo. Nature Energy. 2016
Potential Dependence of Electrochemical Barriers from ab Initio Calculations.
Karen Chan, Jens K Nørskov. Journal of Physical Chemistry Letters. 2016
On the pH dependence of electrochemical proton transfer barriers.
Jan Rossmeisl, Karen Chan, Egill Skulason, Morten Björketun, Vladimir Tripkovic. Catalysis Today. 2016
Acetaldehyde as an Intermediate in the Electroreduction of Carbon Monoxide to Ethanol on Oxide-Derived Copper.
E. Bertheussen, A. Verdaguer-Casadevall, D. Ravasio, J. H. Montoya, D. B. Trimarco, C. Roy, S. Meier, J. Wendland, J. K. Nørskov, I. E. L. Stephens, I. Chorkendorff. Angewandte Chemie - International Edition. 2016
Opportunities and challenges in the electrocatalysis of CO2 and CO reduction using bifunctional surfaces: A theoretical and experimental study of Au-Cd alloys.
Z. P. Jovanov, H. A. Hansen, A. S. Varela, P. Malacrida, A. A. Pederson, J. K. Nørskov, I. E. L. Stephens, I. Chorkendorff. Journal of Catalysis. 2016
Bifunctional alloys for the electroreduction of CO2 and CO.
H. A. Hansen, C. Shi, A. C. Lausche, A. A. Peterson, J. K. Nørskov. Physical Chemistry Chemical Physics. 2016
Theoretical Insight into the Trends that Guide the Electrochemical Reduction of Carbon Dioxide to Formic Acid.
J. S. Yoo, R. Christensen, T. Vegge, J. K. Nørskov, F. Studt. ChemSusChem. 2016
Homogeneously-Dispersed Multi-Metal Oxygen- Evolving Catalysts.
B. Zhang, X. Zheng, O. Vozny, R. Comin, Michal Bajdich, Max Garcia-Melchor, J. Xu, M. Liu, F. P. García de Arquer, C. T. Dinh, F. Fan, M. Yuan, E. Yassitepe, A. Janmohamed, N. Chen, T. Regier, L. Han, H. L. Xin, L. Zheng, H. Yang, Aleksandra Vojvodic, Edward H. Sargent. Science. 2016
Chemical and Phase Evolution of Amorphous Molybdenum Sulfide Catalysts for Electrochemical Hydrogen Production.
Sang Chul Lee, Jesse D. Benck, Charlie Tsai, Joonsuk Park, Ai Leen Koh, Frank Abild-Pedersen, Thomas F. Jaramillo, Robert Sinclair. ACS Catalysis. 2016
Tuning Composition and Activity of Cobalt Titanium Oxide Catalysts for the Oxygen Evolution Reaction.
L.C. Seitz, D. Nordlund, A. Gallo, T.F. Jaramillo. Electrochimica Acta. 2016
Engineering cobalt phosphide (CoP) thin film catalysts for enhanced hydrogen evolution activity on silicon photocathodes.
Thomas R. Hellstern, Jesse D. Benck, Jakob Kibsgaard, Christopher Hahn, Thomas F. Jaramillo. Advanced Energy Materials. 2015
Benchmarking nanoparticulate metal oxide electrocatalysts for the alkaline water oxidation reaction.
Suho Jung, Charles C. L. McCrory, Ivonne M. Ferrer, Jonas C. Peters, Thomas F. Jaramillo. Journal of Materials Chemistry A. 2015
Electrooxidation of Alcohols with Electrode-Supported Transfer Hydrogenation Catalysts .
Megan Buonaiuto, Antonio G. De Crisci, Thomas F. Jaramillo, Robert M. Waymouth. ACS Catalysis. 2015
Polymer Electrolyte Membrane Electrolyzers Utilizing Non-precious Mo-based Hydrogen Evolution Catalysts .
Jia Wei Desmond Ng, Thomas Hellstern, Jakob Kibsgaard, Allison C. Hinckley, Jesse D. Benck, Thomas F. Jaramillo. ChemSusChem. 2015
Synthesis of thin film AuPd alloys and their investigation for electrocatalytic CO2 reduction .
Christopher Hahn, David N. Abram, Heine A. Hansen, Toru Hatsukade, Ariel Jackson, Natalie C. Johnson, Thomas R. Hellstern, Kendra P. Kuhl, Etosha R. Cave, Jeremy T. Feaster, Thomas F. Jaramillo. Journal of Materials Chemistry. 2015
Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends.
Jakob Kibsgaard, Charlie Tsai, Karen Chan, Jesse D. Benck, Jens K. Nørskov, Frank Abild-Pedersen, Thomas F. Jaramillo. Energy & Environmental Science. 2015
CoTiOx Catalysts for the Oxygen Evolution Reaction .
Linsey C. Seitz, Blaise A. Pinaud, Yelena Gorlin, Alessandro Gallo, Thomas F. Jaramillo. Journal of the Electrochemical Society. 2015
Theoretical Study of EMIM+ Adsorption on Silver Electrode Surfaces.
Makoto Urushihara, Karen Chan, Chuan Shi, Jens K. Nørskov. Journal of Physical Chemistry C. 2015
Engineering high-performance Pd core–MgO porous shell nanocatalysts via heterogeneous gas-phase synthesis.
Vidya D. Singh, Cathal Cassidy, Frank Abild-Pedersen, Jeong-Hwan Kim, Kengo Aranishi, Sushant Kumar, Chhagan Lal, Christian Gspan, Werner Groggerc, Mukhles Sowwan. Nanoscale. 2015
Electrochemical Barriers Made Simple.
Karen Chan, Jens K. Nørskov. Journal of Physical Chemistry Letters. 2015
Mechanistic Pathway in the Electrochemical Reduction of CO2 on RuO2.
Mohammadreza Karamad, Heine A. Hansen, Jan Rossmeisl, Jens K. Nørskov. ACS Catalysis. 2015
Platinum and hybrid polyaniline platinum surfaces for the electrocatalytic reduction of CO2.
David N. Abram, Kendra P. Kuhl, Etosha R. Cave, Thomas F. Jaramillo. MRS Communications. 2015
Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction.
Joseph H. Montoya, Chuan Shi, Karen Chan, Jens K. Nørskov. Journal of Physical Chemistry Letters. 2015
Applications of ALD MnO to electrochemical water splitting .
Katie L. Pickrahn, Yelena Gorlin, Linsey C. Seitz, Aaron Garg, Dennis Nordlund, Thomas F. Jaramillo, Stacey F. Bent. Physical Chemistry Chemical Physics. 2015
A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction.
Ralph Koitz, Jens K. Nørskov, Felix Studt. Physical Chemistry Chemical Physics. 2015
Selective Electrochemical Generation of Hydrogen Peroxide from Water Oxidation.
V. Viswanathan, H. A. Hansen, J. K. Nørskov. Journal of Physical Chemistry Letters. 2015
Simultaneous detection of electronic structure changes from two elements of a bifunctional catalyst using wavelength-dispersive X-ray emission spectroscopy and in situ electrochemistry .
Sheraz Gul, Jia Wei Desmond Ng, Roberto Alonso-Mori, Jan Kern, Dimosthenis Sokaras, Eitan Anzenberg, Benedikt Lassalle-Kaiser, Yelena Gorlin, Tsu-Chien Weng, Petrus H. Zwart, Jin Z. Zhang, Uwe Bergmann, Vittal K. Yachandra, Thomas F. Jaramillo, Junko Yano. Physical Chemistry Chemical Physics. 2015
Molybdenum Phosphosulfide: An Active, Acid-Stable Earth-Abundant Catalyst for the Hydrogen Evolution Reaction.
Jakob Kibsgaard, Thomas F. Jaramillo. Angewandte Chemie International Edition. 2014
Understanding the Reactivity of Layered Transition-Metal Sulfides: A Single Electronic Descriptor for Structure and Adsorption.
Charlie Tsai, Karen Chan, Jens K. Nørskov, Frank Abild-Pedersen. Journal of Physical Chemistry Letters. 2014
Unifying Solution and Surface Electrochemistry: Limitations and Opportunities in Surface Electrocatalysis.
Venkat Viswanathan, Heine A. Hansen. Topics in Catalysis. 2014
Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water.
Michal Bajdich, Mónica García-Mota, Aleksandra Vojvodic, Jens K. Nørskov, Alexis T. Bell. Journal of the American Chemical Society. 2013
Stability of Pt-Modified Cu(111) in the Presence of Oxygen and Its Implication on the Overall Electronic Structure.
Henrik Öberg, Toyli Anniyev, Aleksandra Vojvodic, Sarp Kaya, Hirohito Ogasawara, Daniel Friebel, Daniel J. Miller, Dennis Nordlund, Uwe Bergmann, Mathias P. Ljungberg, Frank Abild-Pedersen, Anders Nilsson, Lars G. M. Pettersson. The Journal of Physical Chemistry C. 2013
Electroreduction of Methanediol on Copper.
Heine A. Hansen, Joseph H. Montoya, Yin-Jia Zhang, Chuan Shi, Andrew A. Peterson, Jens K. Nørskov. Catalysis Letters. 2013
Ni-Fe-S cubanes in CO2 reduction electrocatalysis.
J. B. Varley, H. A. Hansen, N. L. Ammitzboll, L. C. Grabow, A. A. Peterson, J. Rossmeisl, J. K. Nørskov. ACS Catalysis. 2013
DFT based study of transition metal nano-clusters for electrochemical NH 3 production.
Jakob G. Howalt, Thomas Bligaard, Jan Rossmeisl, Tejs Vegge. Physical Chemistry Chemical Physics. 2013
Modeling CO2 reduction on Pt(111).
Chuan Shi, Christopher P. O'Grady, Andrew A. Peterson, Heine A. Hansen, Jens K. Nørskov. Physical Chemistry Chemical Physics. 2013
Insights into C-C Coupling in CO2 Electroreduction on Copper Electrodes.
Joseph H. Montoya, Andrew A. Peterson, Jens K. Nørskov. ChemCatChem. 2013
Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO 2Reduction to CO.
Heine A. Hansen, Joel B. Varley, Andrew A. Peterson, Jens K. Nørskov. The Journal of Physical Chemistry Letters. 2013
Platinum redispersion on metal oxides in low temperature fuel cells.
Vladimir Tripković, Isotta Cerri, Tetsuo Nagami, Thomas Bligaard, Jan Rossmeisl. Physical Chemistry Chemical Physics. 2013
The Oxygen Reduction Reaction on Nitrogen-Doped Graphene.
Felix Studt. Catalysis Letters. 2013
Finite-Size Effects in O and CO Adsorption for the Late Transition Metals.
Andrew A. Peterson, Lars C. Grabow, Thomas P. Brennan, Bonggeun Shong, Chinchun Ooi, Di M. Wu, Christina W. Li, Amit Kushwaha, Andrew J. Medford, Felix Mbuga, Lin Li, Jens K. Nørskov. Topics in Catalysis. 2012
Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides.
Mónica García-Mota, Michal Bajdich, Venkat Viswanathan, Aleksandra Vojvodic, Alexis T. Bell, Jens K. Nørskov. The Journal of Physical Chemistry C. 2012
Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis.
Hai-Yan Su, Yelena Gorlin, Isabela C. Man, Federico Calle-Vallejo, Jens K. Nørskov, Thomas F. Jaramillo, Jan Rossmeisl. Physical Chemistry Chemical Physics. 2012
Universality in Oxygen Reduction Electrocatalysis on Metal Surfaces.
Venkat Viswanathan, Heine A. Hansen, Jan Rossmeisl, Jens K. Nørskov. ACS Catalysis. 2012
Balance of Nanostructure and Bimetallic Interactions in Pt Model Fuel Cell Catalysts: In Situ XAS and DFT Study.
Daniel Friebel, Venkat Viswanathan, Daniel J. Miller, Toyli Anniyev, Hirohito Ogasawara, Ask H. Larsen, Christopher P. O’Grady,, Jens K. Nørskov, Anders Nilsson. Journal of the American Chemical Society. 2012
Simulating Linear Sweep Voltammetry from First-Principles: Application to Electrochemical Oxidation of Water on Pt(111) and Pt3Ni(111).
Venkat Viswanathan, Heine A. Hansen, Jan Rossmeisl, Thomas Francisco Jaramillo, Heinz Pitsch, Jens K. Nørskov. The Journal of Physical Chemistry C. 2012
Metal Oxide-Supported Platinum Overlayers as Proton-Exchange Membrane Fuel Cell Cathodes.
Vladimir Tripković, Frank Abild-Pedersen, Felix Studt, Isotta Cerri, Tetsuo Nagami, Thomas Bligaard, Jan Rossmeisl. ChemCatChem. 2012
Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts.
Andrew A. Peterson, Jens K. Nørskov. The Journal of Physical Chemistry Letters. 2012
Solar hydrogen production with semiconductor metal oxides : new directions in experiment and theory.
Álvaro Valdés, Jeremie Brillet, Michael Grätzel, Hildur Gudmundsdóttir, Heine A. Hansen, Hannes Jónsson, Peter Klüpfel, Geert-Jan Kroes, Florian Le Formal, Isabela C. Man, Rafael S. Martins, Jens K. Nørskov, Jan Rossmeisl, Kevin Sivula, Aleksandra Vojvodic, Michael Zäch. Physical Chemistry Chemical Physics. 2012
A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction.
Egill Skúlason, Thomas Bligaard, Sigrídur Gudmundsdóttir, Felix Studt, Jan Rossmeisl, Frank Abild-Pedersen, Tejs Vegge, Hannes Jónssonac, Jens K. Nørskov. Physical Chemistry Chemical Physics. 2012
The importance of surface morphology in controlling the selectivity of polycrystalline copper for CO2 electroreduction.
Wei Tang, Andrew A. Peterson, Ana Sofia Varela, Zarko P. Jovanov, Lone Bech, William J. Durand, Søren Dahl, Jens K. Nørskov, Ib Chorkendorff. Physical Chemistry Chemical Physics. 2012
Optimizing Perovskites for the Water-Splitting Reaction.
Aleksandra Vojvodic, Jens K. Nørskov. Science. 2011
Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries.
Venkat Viswanathan, Kristian S. Thygesen, Jens S. Hummelshøj, Jens K. Nørskov, Girish Girishkumar, Bryan D. McCloskey, Alan C. Luntz. The Journal of Chemical Physics. 2011
Trends in oxygen reduction and methanol activation on transition metal chalcogenides.
Georgios A. Tritsaris, Jens K. Nørskov, Jan Rossmeisl. Electrochimica Acta. 2011
Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition‐Metal Substitution.
Mónica García-Mota, Aleksandra Vojvodic, Horia Metiu, Isabela C. Man, Hai-Yan Su, Jan Rossmeisl, Jens K. Nørskov. ChemCatChem. 2011
Structure effects on the energetics of the electrochemical reduction of CO2 by copper surfaces.
William J. Durand, Andrew A. Peterson, Felix Studt, Frank Abild-Pedersen, Jens K. Nørskov. Surface Science. 2011
Hydrogen evolution on Au(111) covered with submonolayers of Pd.
Mårten E. Björketun, Gustav S. Karlberg, Jan Rossmeisl, Ib Chorkendorff, Holger Wolfschmidt, Ulrich Stimming, Jens K. Nørskov. Physical Review B. 2011
Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction on Pt.
Georgios A. Tritsaris, Jeff Greeley, Jan Rossmeisl, Jens K. Nørskov. Catalysis Letters. 2011
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations.
Egill Skúlason, Vladimir Tripkovic, Mårten E. Björketun, Sigrídur Gudmundsdóttir, Gustav Karlberg, Jan Rossmeisl, Thomas Bligaard, Hannes Jónsson, Jens K. Nørskov. The Journal of Physical Chemistry C. 2010
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels.
Andrew A. Peterson, Frank Abild-Pedersen, Felix Studt, Jan Rossmeisl, Jens K. Nørskov. Energy & Environmental Science. 2010