Combining theory and experiment in electrocatalysis: Insights into materials design

Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

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Opportunities and challenges for a sustainable energy future

Chu, S., & Majumdar, A. (2012) · Nature · doi:10.1038/nature11475 · Cited by 12,550 · see citing works

Powering the planet: Chemical challenges in solar energy utilization

Lewis, N. S., & Nocera, D. G. (2006) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0603395103 · Cited by 8,316 · see citing works

Nitrogen-Doped Carbon Nanotube Arrays with High Electrocatalytic Activity for Oxygen Reduction

Gong, K., Du, F., Xia, Z., Durstock, M. F., & Dai, L. (2009) · Science · doi:10.1126/science.1168049 · Cited by 7,183 · see citing works

Benchmarking Heterogeneous Electrocatalysts for the Oxygen Evolution Reaction

McCrory, C. C. L., Jung, S., Peters, J. C., & Jaramillo, T. F. (2013) · Journal of the American Chemical Society · doi:10.1021/ja407115p · Cited by 7,026 · see citing works

Sustainable Hydrogen Production

Turner, J. A. (2004) · Science · doi:10.1126/science.1103197 · Cited by 6,602 · see citing works

Trends in the exchange current for hydrogen evolution

Nørskov, J. K., Bligaard, T., Logadottir, A., Kitchin, J. R., Chen, J. G., Pandelov, S., & Stimming, U. (2005) · Journal of The Electrochemical Society · doi:10.1149/1.1856988 · Cited by 6,121 · see citing works

Identification of Active Edge Sites for Electrochemical H ₂ Evolution from MoS ₂ Nanocatalysts

Jaramillo, T. F., Jørgensen, K. P., Bonde, J., Nielsen, J. H., Horch, S., & Chorkendorff, I. (2007) · Science · doi:10.1126/science.1141483 · Cited by 6,100 · see citing works

Co3O4 nanocrystals on graphene as a synergistic catalyst for oxygen reduction reaction

Liang, Y., Li, Y., Wang, H., Zhou, J., Wang, J., Regier, T., & Dai, H. (2011) · Nature Materials · doi:10.1038/nmat3087 · Cited by 5,491 · see citing works

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

Suntivich, J., May, K. J., Gasteiger, H. A., Goodenough, J. B., & Shao-Horn, Y. (2011) · Science · doi:10.1126/science.1212858 · Cited by 5,441 · see citing works

Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions

Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. Z. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00470a · Cited by 5,388 · see citing works

MoS ₂ Nanoparticles Grown on Graphene: An Advanced Catalyst for the Hydrogen Evolution Reaction

Li, Y., Wang, H., Xie, L., Liang, Y., Hong, G., & Dai, H. (2011) · Journal of the American Chemical Society · doi:10.1021/ja201269b · Cited by 5,001 · see citing works

Activity benchmarks and requirements for Pt, Pt-alloy, and non-Pt oxygen reduction catalysts for PEMFCs

Gasteiger, H. A., Kocha, S. S., Sompalli, B., & Wagner, F. T. (2005) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2004.06.021 · Cited by 4,876 · see citing works

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

Man, I. C., Su, H., Calle‐Vallejo, F., Hansen, H. A., Martínez, J. I., Inoglu, N. G., Kitchin, J., Jaramillo, T. F., Nørskov, J. K., & Rossmeisl, J. (2011) · ChemCatChem · doi:10.1002/cctc.201000397 · Cited by 4,769 · see citing works

Improved Oxygen Reduction Activity on Pt ₃ Ni(111) via Increased Surface Site Availability

Stamenkovic, V. R., Fowler, B., Mun, B. S., Wang, G., Ross, P. N., Lucas, C. A., & Marković, N. M. (2007) · Science · doi:10.1126/science.1135941 · Cited by 4,421 · see citing works

Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices

McCrory, C. C. L., Jung, S., Ferrer, I. M., Chatman, S. M., Peters, J. C., & Jaramillo, T. F. (2015) · Journal of the American Chemical Society · doi:10.1021/ja510442p · Cited by 4,145 · see citing works

Computational high-throughput screening of electrocatalytic materials for hydrogen evolution

Greeley, J., Jaramillo, T. F., Bonde, J., Chorkendorff, I., & Nørskov, J. K. (2006) · Nature Materials · doi:10.1038/nmat1752 · Cited by 4,097 · see citing works

Biomimetic Hydrogen Evolution:  MoS ₂ Nanoparticles as Catalyst for Hydrogen Evolution

Hinnemann, B., Moses, P. G., Bonde, J., Jørgensen, K. P., Nielsen, J. H., Horch, S., Chorkendorff, I., & Nørskov, J. K. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0504690 · Cited by 4,065 · see citing works

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

Peterson, A. A., Abild-Pedersen, F., Studt, F., Rossmeisl, J., & Nørskov, J. K. (2010) · Energy & Environmental Science · doi:10.1039/c0ee00071j · Cited by 3,784 · see citing works

Synthesis and Activities of Rutile IrO2 and RuO2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions

Lee, Y., Suntivich, J., May, K. J., Perry, E. E., & Shao‐Horn, Y. (2012) · The Journal of Physical Chemistry Letters · doi:10.1021/jz2016507 · Cited by 3,531 · see citing works

Enhanced Hydrogen Evolution Catalysis from Chemically Exfoliated Metallic MoS ₂ Nanosheets

Lukowski, M. A., Daniel, A. S., Meng, F., Forticaux, A., Li, L., & Jin, S. (2013) · Journal of the American Chemical Society · doi:10.1021/ja404523s · Cited by 3,341 · see citing works

Hydrogen Peroxide Synthesis: An Outlook beyond the Anthraquinone Process

Campos‐Martín, J. M., Blanco‐Brieva, G., & Fierro, J. L. G. (2006) · Angewandte Chemie International Edition · doi:10.1002/anie.200503779 · Cited by 3,270 · see citing works

Trends in electrocatalysis on extended and nanoscale Pt-bimetallic alloy surfaces

Stamenkovic, V. R., Mun, B. S., Arenz, M., Mayrhofer, K. J. J., Lucas, C. A., Wang, G., Ross, P. N., & Markovic, N. M. (2007) · Nature Materials · doi:10.1038/nmat1840 · Cited by 3,252 · see citing works

Engineering the surface structure of MoS2 to preferentially expose active edge sites for electrocatalysis

Kibsgaard, J., Chen, Z., Reinecke, B. N., & Jaramillo, T. F. (2012) · Nature Materials · doi:10.1038/nmat3439 · Cited by 3,234 · see citing works

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

Greeley, J., Stephens, I. E. L., Bondarenko, A. S., Johansson, T. P., Hansen, H. A., Jaramillo, T. F., Rossmeisl, J., Chorkendorff, I., & Nørskov, J. K. (2009) · Nature Chemistry · doi:10.1038/nchem.367 · Cited by 3,203 · see citing works

New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces

Kuhl, K. P., Cave, E. R., Abram, D. N., & Jaramillo, T. F. (2012) · Energy & Environmental Science · doi:10.1039/c2ee21234j · Cited by 3,160 · see citing works

A metal-free bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions

Zhang, J., Zhao, Z., Xia, Z., & Dai, L. (2015) · Nature Nanotechnology · doi:10.1038/nnano.2015.48 · Cited by 3,097 · see citing works

Pd-Pt Bimetallic Nanodendrites with High Activity for Oxygen Reduction

Lim, B., Jiang, M., Camargo, P. H. C., Cho, E. C., Tao, J., Lu, X., Zhu, Y., & Younan Xia, A. (2009) · Science · doi:10.1126/science.1170377 · Cited by 2,983 · see citing works

Design principles for oxygen-reduction activity on perovskite oxide catalysts for fuel cells and metal–air batteries

Suntivich, J., Gasteiger, H. A., Yabuuchi, N., Nakanishi, H., Goodenough, J. B., & Shao‐Horn, Y. (2011) · Nature Chemistry · doi:10.1038/nchem.1069 · Cited by 2,914 · see citing works

Nanostructured Nickel Phosphide as an Electrocatalyst for the Hydrogen Evolution Reaction

Popczun, E. J., McKone, J. R., Read, C. G., Biacchi, A. J., Wiltrout, A. M., Lewis, N. S., & Schaak, R. E. (2013) · Journal of the American Chemical Society · doi:10.1021/ja403440e · Cited by 2,911 · see citing works

Highly Crystalline Multimetallic Nanoframes with Three-Dimensional Electrocatalytic Surfaces

Chen, C., Kang, Y., Huo, Z., Zhu, Z., Huang, W., Xin, H. L., Snyder, J. D., Li, D., Herron, J. A., Mavrikakis, M., et al. (2014) · Science · doi:10.1126/science.1249061 · Cited by 2,765 · see citing works

Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting

Friebel, D., Louie, M. W., Bajdich, M., Sanwald, K. E., Cai, Y., Wise, A. M., Cheng, M., Sokaras, D., Weng, T., Alonso‐Mori, R., et al. (2015) · Journal of the American Chemical Society · doi:10.1021/ja511559d · Cited by 2,747 · see citing works

Electrolysis of water on oxide surfaces

Rossmeisl, J., Qu, Z.-W., Zhu, H., Kroes, G., & Nørskov, J. (2007) · Journal of Electroanalytical Chemistry · doi:10.1016/j.jelechem.2006.11.008 · Cited by 2,699 · see citing works

Enhanced catalytic activity in strained chemically exfoliated WS2 nanosheets for hydrogen evolution

Voiry, D., Yamaguchi, H., Li, J., Silva, R., Alves, D. C. B., Fujita, T., Chen, M., Asefa, T., Shenoy, V. B., Eda, G., et al. (2013) · Nature Materials · doi:10.1038/nmat3700 · Cited by 2,641 · see citing works

Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies

Li, H., Tsai, C., Koh, A. L., Cai, L., Contryman, A. W., Fragapane, A. H., Zhao, J., Han, H. S., Manoharan, H. C., Abild-Pedersen, F., et al. (2016) · Nature Materials · doi:10.1038/nmat4465 · Cited by 2,529 · see citing works

Homogeneously dispersed multimetal oxygen-evolving catalysts

Zhang, B., Zheng, X., Voznyy, O., Comin, R., Bajdich, M., García-Melchor, M., Han, L., Xu, J., Liu, M., Zheng, L., et al. (2016) · Science · doi:10.1126/science.aaf1525 · Cited by 2,447 · see citing works

Self-Supported Nanoporous Cobalt Phosphide Nanowire Arrays: An Efficient 3D Hydrogen-Evolving Cathode over the Wide Range of pH 0–14

Tian, J., Liu, Q., Asiri, A. M., & Sun, X. (2014) · Journal of the American Chemical Society · doi:10.1021/ja503372r · Cited by 2,373 · see citing works

Synthesis of MoS ₂ and MoSe ₂ Films with Vertically Aligned Layers

Kong, D., Wang, H., Cha, J. J., Pasta, M., Koski, K. J., Yao, J., & Cui, Y. (2013) · Nano Letters · doi:10.1021/nl400258t · Cited by 2,250 · see citing works

Conducting MoS ₂ Nanosheets as Catalysts for Hydrogen Evolution Reaction

Voiry, D., Salehi, M., Silva, R., Fujita, T., Chen, M., Asefa, T., Shenoy, V. B., Eda, G., & Chhowalla, M. (2013) · Nano Letters · doi:10.1021/nl403661s · Cited by 2,203 · see citing works

A highly active and stable IrO x /SrIrO 3 catalyst for the oxygen evolution reaction

Seitz, L. C., Dickens, C. F., Nishio, K., Hikita, Y., Montoya, J. H., Doyle, A., Kirk, C., Vojvodić, A., Hwang, H. Y., Nørskov, J. K., et al. (2016) · Science · doi:10.1126/science.aaf5050 · Cited by 2,199 · see citing works

Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure

Stamenkovic, V., Mun, B. S., Mayrhofer, K. J. J., Ross, P. N., Markovic, N. M., Rossmeisl, J., Greeley, J., & Nørskov, J. K. (2006) · Angewandte Chemie International Edition · doi:10.1002/anie.200504386 · Cited by 2,109 · see citing works

High-performance transition metal–doped Pt 3 Ni octahedra for oxygen reduction reaction

Huang, X., Zhao, Z., Cao, L., Chen, Y., Zhu, E., Lin, Z., Li, M., Yan, A., Zettl, A. K., Wang, Y., et al. (2015) · Science · doi:10.1126/science.aaa8765 · Cited by 1,895 · see citing works

Hydrogen Oxidation and Evolution Reaction Kinetics on Platinum: Acid vs Alkaline Electrolytes

Sheng, W., Gasteiger, H. A., & Shao-Horn, Y. (2010) · Journal of The Electrochemical Society · doi:10.1149/1.3483106 · Cited by 1,829 · see citing works

Electroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper

Li, C. W., Ciston, J., & Kanan, M. W. (2014) · Nature · doi:10.1038/nature13249 · Cited by 1,728 · see citing works

Activity Descriptors for CO ₂ Electroreduction to Methane on Transition-Metal Catalysts

Peterson, A. A., & Nørskov, J. K. (2012) · The Journal of Physical Chemistry Letters · doi:10.1021/jz201461p · Cited by 1,667 · see citing works

Electrocatalytic Conversion of Carbon Dioxide to Methane and Methanol on Transition Metal Surfaces

Kuhl, K. P., Hatsukade, T., Cave, E. R., Abram, D. N., Kibsgaard, J., & Jaramillo, T. F. (2014) · Journal of the American Chemical Society · doi:10.1021/ja505791r · Cited by 1,649 · see citing works

Formation of hydrocarbons in the electrochemical reduction of carbon dioxide at a copper electrode in aqueous solution

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A theoretical evaluation of possible transition metal electro-catalysts for N 2 reduction

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Catalyzing the hydrogen evolution reaction (HER) with molybdenum sulfide nanomaterials

Benck, J. D., Hellstern, T. R., Kibsgaard, J., Chakthranont, P., & Jaramillo, T. F. (2014) · ACS Catalysis · doi:10.1021/cs500923c · Cited by 1,617 · see citing works

Enabling direct H2O2 production through rational electrocatalyst design

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Challenges in reduction of dinitrogen by proton and electron transfer

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A Bifunctional Nonprecious Metal Catalyst for Oxygen Reduction and Water Oxidation

Gorlin, Y., & Jaramillo, T. F. (2010) · Journal of the American Chemical Society · doi:10.1021/ja104587v · Cited by 1,571 · see citing works

Ionic Liquid–Mediated Selective Conversion of CO ₂ to CO at Low Overpotentials

Rosen, B. A., Salehi-Khojin, A., Thorson, M. R., Zhu, W., Whipple, D. T., Kenis, P. J. A., & Masel, R. I. (2011) · Science · doi:10.1126/science.1209786 · Cited by 1,558 · see citing works

Solution-Cast Metal Oxide Thin Film Electrocatalysts for Oxygen Evolution

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Just a Dream—or Future Reality?

Gasteiger, H. A., & Marković, N. M. (2009) · Science · doi:10.1126/science.1172083 · Cited by 1,483 · see citing works

Two-Dimensional Molybdenum Carbide (MXene) as an Efficient Electrocatalyst for Hydrogen Evolution

Seh, Z. W., Fredrickson, K. D., Anasori, B., Kibsgaard, J., Strickler, A. L., Lukatskaya, M. R., Gogotsi, Y., Jaramillo, T. F., & Vojvodic, A. (2016) · ACS Energy Letters · doi:10.1021/acsenergylett.6b00247 · Cited by 1,482 · see citing works

Improving the hydrogen oxidation reaction rate by promotion of hydroxyl adsorption

Strmcnik, D., Uchimura, M., Wang, C., Subbaraman, R., Danilovic, N., van der Vliet, D., Paulikas, A. P., Stamenkovic, V. R., & Markovic, N. M. (2013) · Nature Chemistry · doi:10.1038/nchem.1574 · Cited by 1,426 · see citing works

Prospects of CO 2 Utilization via Direct Heterogeneous Electrochemical Reduction

Whipple, D. T., & Kenis, P. J. A. (2010) · The Journal of Physical Chemistry Letters · doi:10.1021/jz1012627 · Cited by 1,419 · see citing works

Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water

Bajdich, M., García‐Mota, M., Vojvodić, A., Nørskov, J. K., & Bell, A. T. (2013) · Journal of the American Chemical Society · doi:10.1021/ja405997s · Cited by 1,406 · see citing works

The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations

Montoya, J. H., Tsai, C., Vojvodic, A., & Nørskov, J. K. (2015) · ChemSusChem · doi:10.1002/cssc.201500322 · Cited by 1,384 · see citing works

Amorphous molybdenum sulfide films as catalysts for electrochemical hydrogen production in water

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Molybdenum Boride and Carbide Catalyze Hydrogen Evolution in both Acidic and Basic Solutions

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Hydrogen‐Evolution Catalysts Based on Non‐Noble Metal Nickel–Molybdenum Nitride Nanosheets

Chen, W., Sasaki, K., Ma, C., Frenkel, A. I., Marinković, N., Muckerman, J. T., Zhu, Y., & Adžić, R. R. (2012) · Angewandte Chemie International Edition · doi:10.1002/anie.201200699 · Cited by 1,301 · see citing works

Boron‐Doped Carbon Nanotubes as Metal‐Free Electrocatalysts for the Oxygen Reduction Reaction

Yang, L., Jiang, S., Zhao, Y., Zhu, L., Chen, S., Wang, X., Wu, Q., Ma, J., Ma, Y., & Hu, Z. (2011) · Angewandte Chemie International Edition · doi:10.1002/anie.201101287 · Cited by 1,299 · see citing works

Compositional segregation in shaped Pt alloy nanoparticles and their structural behaviour during electrocatalysis

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Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

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Highly Active Electrocatalysis of the Hydrogen Evolution Reaction by Cobalt Phosphide Nanoparticles

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A Molecular MoS ₂ Edge Site Mimic for Catalytic Hydrogen Generation

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Alloy catalysts designed from first principles

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Core–shell MoO₃–MoS₂ Nanowires for Hydrogen Evolution: A Functional Design for Electrocatalytic Materials

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Amorphous Molybdenum Sulfide Catalysts for Electrochemical Hydrogen Production: Insights into the Origin of their Catalytic Activity

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Carbon nanotubes decorated with CoP nanocrystals: a highly active non-noble-metal nanohybrid electrocatalyst for hydrogen evolution.

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Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction

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Molybdenum Phosphosulfide: An Active, Acid‐Stable, Earth‐Abundant Catalyst for the Hydrogen Evolution Reaction

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The rate of electrolytic hydrogen evolution and the heat of adsorption of hydrogen

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Beyond Oil and Gas: The Methanol Economy

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Electrochemical tuning of vertically aligned MoS 2 nanofilms and its application in improving hydrogen evolution reaction

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Platinum-based nanocages with subnanometer-thick walls and well-defined, controllable facets

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Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends

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A new mechanism for the selectivity to C1 and C2 species in the electrochemical reduction of carbon dioxide on copper electrodes

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Fe, Co, and Ni ions promote the catalytic activity of amorphous molybdenum sulfide films for hydrogen evolution

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Two Pathways for the Formation of Ethylene in CO Reduction on Single-Crystal Copper Electrodes

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Theoretical Insights into a CO Dimerization Mechanism in CO 2 Electroreduction

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Building an appropriate active-site motif into a hydrogen-evolution catalyst with thiomolybdate [Mo3S13]2− clusters

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Supportless Pt and PtPd Nanotubes as Electrocatalysts for Oxygen‐Reduction Reactions

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Electrochemical Reduction of CO at a Copper Electrode

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Ni–Mo Nanopowders for Efficient Electrochemical Hydrogen Evolution

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Beyond Oil and Gas: The Methanol Economy

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