Search Results - "Koper, Marc TM"

Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers by Calle-Vallejo, Federico, Loffreda, David, Koper, Marc T. M., Sautet, Philippe

“…The search for improved heterogeneous catalysts is an important but difficult task. Scaling relations between the adsorption energies of reaction intermediates…”
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Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution by Grimaud, Alexis, Diaz-Morales, Oscar, Han, Binghong, Hong, Wesley T., Lee, Yueh-Lin, Giordano, Livia, Stoerzinger, Kelsey A., Koper, Marc T. M., Shao-Horn, Yang

“…Understanding how materials that catalyse the oxygen evolution reaction (OER) function is essential for the development of efficient energy-storage…”
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Electrocatalytic reduction of Nitrate on Copper single crystals in acidic and alkaline solutions by Pérez-Gallent, Elena, Figueiredo, Marta C., Katsounaros, Ioannis, Koper, Marc T.M.

“…Nitrate reduction on Cu (100) and Cu (111) surfaces in alkaline and acidic solutions was studied by electrochemical methods (cyclic voltammetry, rotating disc…”
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The importance of nickel oxyhydroxide deprotonation on its activity towards electrochemical water oxidation by Diaz-Morales, Oscar, Ferrus-Suspedra, David, Koper, Marc T M

“…Nickel oxyhydroxide (NiOOH) is extensively used for energy storage and it is a very promising catalyst for the oxygen evolution reaction (OER). However, the…”
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Structure sensitivity and nanoscale effects in electrocatalysis by Koper, Marc T M

“…This review discusses the role of the detailed nanoscale structure of catalytic surfaces on the activity of various electrocatalytic reactions of importance…”
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First-principles computational electrochemistry: Achievements and challenges by Calle-Vallejo, Federico, Koper, Marc T.M.

“…The use of first-principles computational techniques, such as density functional theory (DFT), to understand electrochemical reactions is witnessing an ever…”
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Proton-coupled electron transfer in the electrocatalysis of CO2 reduction: prediction of sequential vs. concerted pathways using DFT by Gottle, Adrien J, Koper, Marc TM

“…Herein we investigate computationally in detail the mechanism of the formation of the carboxylate adduct during the electroreduction of CO2 in water catalysed…”
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Challenges in reduction of dinitrogen by proton and electron transfer by van der Ham, Cornelis J M, Koper, Marc T M, Hetterscheid, Dennis G H

“…Ammonia is an important nutrient for the growth of plants. In industry, ammonia is produced by the energy expensive Haber-Bosch process where dihydrogen and…”
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Selective electrocatalytic hydrogenation of α,β-unsaturated ketone on (111)-oriented Pd and Pt electrodes by Villalba, Matias A., Koper, Marc T.M.

“…In this paper, we study the electrocatalytic reduction of methyl vinyl ketone on Pt(111) and Pd-modified Pt(111) electrodes, as well as some of its expected…”
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A DEMS approach for the direct detection of CO formed during electrochemical CO2 reduction by Bondue, Christoph J., Koper, Marc T.M.

“…Observation of CO formed during electrochemical CO2 reduction using Differential Electrochemical Mass Spectrometry (DEMS) is complicated by the fragmentation…”
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The effect of pH on the electrocatalytic oxidation of formic acid/formate on platinum: A mechanistic study by surface-enhanced infrared spectroscopy coupled with cyclic voltammetry by Joo, Jiyong, Uchida, Taro, Cuesta, Angel, Koper, Marc T.M., Osawa, Masatoshi

“…The electrocatalytic oxidation of formic acid (HCOOH) and formate (HCOO−) to CO2 on platinum has been studied over a wide range of pH (0–12) by…”
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Preface by Cuesta, Angel, Koper, Marc TM

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Structural and electronic effects in heterogeneous electrocatalysis: Toward a rational design of electrocatalysts by Bandarenka, Aliaksandr S., Koper, Marc T.M.

“…Thorough theoretical analysis of structural and electronic effects supported by model experiments can be used for the rational design of new electrocatalytic…”
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Electrochemistry of Nanoparticles by Kleijn, Steven E. F., Lai, Stanley C. S., Koper, Marc T. M., Unwin, Patrick R.

“…Metal nanoparticles (NPs) find widespread application as a result of their unique physical and chemical properties. NPs have generated considerable interest in…”
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CO electrooxidation on Sn-modified Pt single crystals in acid media by Rizo, Ruben, Pastor, Elena, Koper, Marc T.M.

“…The irreversible adsorption of Sn on the three Pt basal planes (Sn/Pt(111), Sn/Pt(100) and Sn/Pt(110)) and the oxidation of adsorbed carbon monoxide have been…”
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Alumina contamination through polishing and its effect on hydrogen evolution on gold electrodes by Monteiro, Mariana C.O., Koper, Marc T.M.

“…In this work we show how the contamination of gold electrodes with alumina particles by electrode polishing leads to an enhancement in activity for hydrogen…”
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Ni-modified Fe3O4(001) surface as a simple model system for understanding the oxygen evolution reaction by Mirabella, Francesca, Müllner, Matthias, Touzalin, Thomas, Riva, Michele, Jakub, Zdenek, Kraushofer, Florian, Schmid, Michael, Koper, Marc T.M., Parkinson, Gareth S., Diebold, Ulrike

“…Electrochemical water splitting is an environmentally friendly technology to store renewable energy in the form of chemical fuels. Among the earth-abundant…”
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Theory of the transition from sequential to concerted electrochemical proton-electron transfer by Koper, Marc T M

“…A theory for the calculation of potential energy surfaces of electrochemical proton-coupled electron transfer is considered and parameterized on the basis of…”
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Influence of water on the hydrogen evolution reaction on a gold electrode in acetonitrile solution by Ledezma-Yanez, Isis, Koper, Marc T.M.

“…Here we discuss the importance of water in proton solvation for the hydrogen evolution on polycrystalline gold microelectrodes. We perform cyclic voltammetry…”
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Interconversions of nitrogen-containing species on Pt(100) and Pt(111) electrodes in acidic solutions containing nitrate by Katsounaros, Ioannis, Figueiredo, Marta C., Chen, Xiaoting, Calle-Vallejo, Federico, Koper, Marc T.M.

“…This work deals with the interconversions of various nitrogen-containing compounds on Pt(111) and Pt(100) electrodes in contact with acidic solutions of…”
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