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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
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
Defective Carbon-based Materials for the Electrochemical Synthesis of Hydrogen Peroxide.
Shucheng Chen, Zhihua Chen, Samira Siahrostami, Taeho Roy Kim, Dennis Nordlund, Dimosthenis Sokaras, Stanisław Henrik Nowak, John W. F. To, Drew Christopher Higgins, Robert Sinclair, Jens K. Norskov, Thomas F. Jaramillo, Zhenan Bao. ACS Sustainable Chemistry and Engineering. 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
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
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
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
Active and Stable Ir@Pt Core–Shell Catalysts for Electrochemical Oxygen Reduction .
A.L. Strickler , A. Jackson, T.F. Jaramillo. ACS Energy Letters. 2016
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
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
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
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
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
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
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