Search Results - "Rossmeisl, Jan"

What Makes High‐Entropy Alloys Exceptional Electrocatalysts? by Löffler, Tobias, Ludwig, Alfred, Rossmeisl, Jan, Schuhmann, Wolfgang

“…The formation of a vast number of different multielement active sites in compositionally complex solid solution materials, often more generally termed…”
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Electrochemical CO2 Reduction: A Classification Problem by Bagger, Alexander, Ju, Wen, Varela, Ana Sofia, Strasser, Peter, Rossmeisl, Jan

“…In this work, we propose four non‐coupled binding energies of intermediates as descriptors, or “genes”, for predicting the product distribution in CO2…”
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pH in Grand Canonical Statistics of an Electrochemical Interface by Hansen, Martin Hangaard, Rossmeisl, Jan

“…We present an atomic-scale model of the electrochemical interface, which unfolds the effects of pH and electrode potential using a generalized computational…”
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High-Entropy Alloys as Catalysts for the CO2 and CO Reduction Reactions by Pedersen, Jack K, Batchelor, Thomas A. A, Bagger, Alexander, Rossmeisl, Jan

“…We present an approach for a probabilistic and unbiased discovery of selective and active catalysts for the carbon dioxide (CO2) and carbon monoxide (CO)…”
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Activity–Selectivity Trends in the Electrochemical Production of Hydrogen Peroxide over Single-Site Metal–Nitrogen–Carbon Catalysts by Sun, Yanyan, Silvioli, Luca, Sahraie, Nastaran Ranjbar, Ju, Wen, Li, Jingkun, Zitolo, Andrea, Li, Shuang, Bagger, Alexander, Arnarson, Logi, Wang, Xingli, Moeller, Tim, Bernsmeier, Denis, Rossmeisl, Jan, Jaouen, Frédéric, Strasser, Peter

“…Nitrogen-doped carbon materials featuring atomically dispersed metal cations (M–N–C) are an emerging family of materials with potential applications for…”
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Electrochemical Reduction of CO2 on Metal-Nitrogen-Doped Carbon Catalysts by Varela, Ana Sofia, Ju, Wen, Bagger, Alexander, Franco, Patricio, Rossmeisl, Jan, Strasser, Peter

“…The electrochemical CO2 reduction reaction (CO2RR) is a promising technology for converting waste CO2 into chemicals which could be used as feedstock for the…”
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Understanding activity and selectivity of metal-nitrogen-doped carbon catalysts for electrochemical reduction of CO2 by Ju, Wen, Bagger, Alexander, Hao, Guang-Ping, Varela, Ana Sofia, Sinev, Ilya, Bon, Volodymyr, Roldan Cuenya, Beatriz, Kaskel, Stefan, Rossmeisl, Jan, Strasser, Peter

“…Direct electrochemical reduction of CO 2 to fuels and chemicals using renewable electricity has attracted significant attention partly due to the fundamental…”
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Toward the Decentralized Electrochemical Production of H2O2: A Focus on the Catalysis by Yang, Sungeun, Verdaguer-Casadevall, Arnau, Arnarson, Logi, Silvioli, Luca, Čolić, Viktor, Frydendal, Rasmus, Rossmeisl, Jan, Chorkendorff, Ib, Stephens, Ifan E. L

“…H2O2 is a valuable, environmentally friendly oxidizing agent with a wide range of uses from the provision of clean water to the synthesis of valuable…”
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Beyond the top of the volcano? – A unified approach to electrocatalytic oxygen reduction and oxygen evolution by Busch, Michael, Halck, Niels B., Kramm, Ulrike I., Siahrostami, Samira, Krtil, Petr, Rossmeisl, Jan

“…We study the oxygen reduction (ORR) and the oxygen evolution reaction (OER) and based on previous obtained mechanistic insight we provide a unified general…”
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Morphology and mechanism of highly selective Cu(II) oxide nanosheet catalysts for carbon dioxide electroreduction by Wang, Xingli, Klingan, Katharina, Klingenhof, Malte, Möller, Tim, Ferreira de Araújo, Jorge, Martens, Isaac, Bagger, Alexander, Jiang, Shan, Rossmeisl, Jan, Dau, Holger, Strasser, Peter

“…Cu oxides catalyze the electrochemical carbon dioxide reduction reaction (CO2RR) to hydrocarbons and oxygenates with favorable selectivity. Among them, the…”
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Tuning the activity of Pt alloy electrocatalysts by means of the lanthanide contraction by Escudero-Escribano, María, Malacrida, Paolo, Hansen, Martin H., Vej-Hansen, Ulrik G., Velázquez-Palenzuela, Amado, Tripkovic, Vladimir, Schiøtz, Jakob, Rossmeisl, Jan, Stephens, Ifan E. L., Chorkendorff, Ib

“…The high platinum loadings required to compensate for the slow kinetics of the oxygen reduction reaction (ORR) impede the widespread uptake of low-temperature…”
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Unifying the 2e– and 4e– Reduction of Oxygen on Metal Surfaces by Viswanathan, Venkatasubramanian, Hansen, Heine Anton, Rossmeisl, Jan, Nørskov, Jens K

“…Understanding trends in selectivity is of paramount importance for multi-electron electrochemical reactions. The goal of this work is to address the issue of…”
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Intermetallic Alloys as CO Electroreduction CatalystsRole of Isolated Active Sites by Karamad, Mohammadreza, Tripkovic, Vladimir, Rossmeisl, Jan

“…One of the main challenges associated with the electrochemical CO or CO2 reduction is poor selectivity toward energetically rich products. In order to promote…”
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Trends in the Electrochemical Synthesis of H2O2: Enhancing Activity and Selectivity by Electrocatalytic Site Engineering by Verdaguer-Casadevall, Arnau, Deiana, Davide, Karamad, Mohammadreza, Siahrostami, Samira, Malacrida, Paolo, Hansen, Thomas W, Rossmeisl, Jan, Chorkendorff, Ib, Stephens, Ifan E. L

“…The direct electrochemical synthesis of hydrogen peroxide is a promising alternative to currently used batch synthesis methods. Its industrial viability is…”
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A Linear Response DFT+U Study of Trends in the Oxygen Evolution Activity of Transition Metal Rutile Dioxides by Xu, Zhongnan, Rossmeisl, Jan, Kitchin, John R

“…There are known errors in oxidation energies of transition metal oxides caused by an improper treatment of their d-electrons. The Hubbard U is the…”
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Toward an Active and Stable Catalyst for Oxygen Evolution in Acidic Media: Ti-Stabilized MnO2 by Frydendal, Rasmus, Paoli, Elisa A., Chorkendorff, Ib, Rossmeisl, Jan, Stephens, Ifan E. L.

“…Catalysts are required for the oxygen evolution reaction, which are abundant, active, and stable in acid. MnO2 is a promising candidate material for this…”
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Complex‐Solid‐Solution Electrocatalyst Discovery by Computational Prediction and High‐Throughput Experimentation by Batchelor, Thomas A. A., Löffler, Tobias, Xiao, Bin, Krysiak, Olga A., Strotkötter, Valerie, Pedersen, Jack K., Clausen, Christian M., Savan, Alan, Li, Yujiao, Schuhmann, Wolfgang, Rossmeisl, Jan, Ludwig, Alfred

“…Complex solid solutions (“high entropy alloys”), comprising five or more principal elements, promise a paradigm change in electrocatalysis due to the…”
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The oxygen reduction reaction mechanism on Pt(1 1 1) from density functional theory calculations by Tripković, Vladimir, Skúlason, Egill, Siahrostami, Samira, Nørskov, Jens K., Rossmeisl, Jan

“…We study the oxygen reduction reaction (ORR) mechanism on a Pt(1 1 1) surface using density functional theory calculations. We find that at low overpotentials…”
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Enabling direct H2O2 production through rational electrocatalyst design by Siahrostami, Samira, Verdaguer-Casadevall, Arnau, Karamad, Mohammadreza, Deiana, Davide, Malacrida, Paolo, Wickman, Björn, Escudero-Escribano, María, Paoli, Elisa A., Frydendal, Rasmus, Hansen, Thomas W., Chorkendorff, Ib, Stephens, Ifan E. L., Rossmeisl, Jan

“…Future generations require more efficient and localized processes for energy conversion and chemical synthesis. The continuous on-site production of hydrogen…”
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Spectroelectrochemical Analysis of the Water Oxidation Mechanism on Doped Nickel Oxides by Rao, Reshma R, Corby, Sacha, Bucci, Alberto, García-Tecedor, Miguel, Mesa, Camilo A, Rossmeisl, Jan, Giménez, Sixto, Lloret-Fillol, Julio, Stephens, Ifan E. L, Durrant, James R

“…Metal oxides and oxyhydroxides exhibit state-of-the-art activity for the oxygen evolution reaction (OER); however, their reaction mechanism, particularly the…”
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