| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Grunwaldt, Jan-Dierk
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (33/33 displayed)
- 2024Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammoniacitations
- 2024Lifecycle of Pd Clusters: Following the Formation and Evolution of Active Pd Clusters on Ceria During CO Oxidation by In Situ/Operando Characterization Techniques
- 2024Unveiling the synergistic effects of pH and Sn content for tuning the catalytic performance of Ni^0/Ni_{x}Sn_{y} intermetallic compounds dispersed on Ce-Zr mixed oxides in the aqueous phase reforming of ethylene glycol
- 2024Pd loading threshold for an efficient noble metal use in Pd/CeO2 methane oxidation catalystscitations
- 2023Green methanol from renewable feeds : Towards scalable catalyst synthesis and improved stability
- 2021Design of bimetallic Au/Cu nanoparticles in ionic liquids: Synthesis and catalytic properties in 5‐(hydroxymethyl)furfural oxidationcitations
- 2020Dynamic structural changes of supported Pd, PdSn, and PdIn nanoparticles during continuous flow high pressure direct H$_{2}$O$_{2}$ synthesiscitations
- 2020Reduction and carburization of iron oxides for Fischer–Tropsch synthesiscitations
- 2020Optimizing Ni-Fe-Ga alloys into Ni$_{2}$FeGa for the hydrogenation of CO$_{2}$ into methanolcitations
- 2020Optimizing Ni-Fe-Ga alloys into Ni 2 FeGa for the hydrogenation of CO 2 into methanolcitations
- 2020Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRDcitations
- 2020Microfluidic Crystallization of Surfactant-Free Doped Zinc Sulfide Nanoparticles for Optical Bioimaging Applicationscitations
- 2019Impact of Preparation Method and Hydrothermal Aging on Particle Size Distribution of $Pt/γ-Al_{2}O_{3}$ and Its Performance in CO and NO Oxidationcitations
- 2019Supported Intermetallic PdZn Nanoparticles as Bifunctional Catalysts for the Direct Synthesis of Dimethyl Ether from CO-Rich Synthesis Gascitations
- 2019Chemical Nature of Microfluidically Synthesized AuPd Nanoalloys Supported on TiO2citations
- 2019Mapping the Pore Architecture of Structured Catalyst Monoliths from Nanometer to Centimeter Scale with Electron and X-ray Tomographiescitations
- 2019NH$_{3}$-SCR over V-W/TiO$_{2}$ Investigated by Operando X-ray Absorption and Emission Spectroscopycitations
- 2018Tuning the $mathrm{Pt/CeO_{2}}$ Interface by in Situ Variation of the Pt Particle Sizecitations
- 2018Hydrotreatment of Fast Pyrolysis Bio-oil Fractions Over Nickel-Based Catalystcitations
- 2018Synthesis and Regeneration of Nickel-Based Catalysts for Hydrodeoxygenation of Beech Wood Fast Pyrolysis Bio-Oilcitations
- 2018Synthesis and Regeneration of Nickel-Based Catalysts for Hydrodeoxygenation of Beech Wood Fast Pyrolysis Bio-Oil
- 2017Comparison of the Catalytic Performance and Carbon Monoxide Sensing Behavior of Pd-SnO$_2$ Core@Shell Nanocompositescitations
- 2016Influence of gas atmospheres and ceria on the stability of nanoporous gold studied by environmental electron microscopy and in situ ptychography
- 2016Influence of gas atmospheres and ceria on the stability of nanoporous gold studied by environmental electron microscopy and in situ ptychographycitations
- 2014In situ observation of Cu-Ni alloy nanoparticle formation by X-ray diffraction, X-ray absorption spectroscopy, and transmission electron microscopy: Influence of Cu/Ni ratiocitations
- 2014Intermetallic compounds of Ni and Ga as catalysts for the synthesis of methanolcitations
- 2014Intermetallic compounds of Ni and Ga as catalysts for the synthesis of methanolcitations
- 2014Flame-made Cu/ZnO/Al2O3 catalyst for dimethyl ether productioncitations
- 2012CO hydrogenation to methanol on Cu–Ni catalystscitations
- 2012CO hydrogenation to methanol on Cu–Ni catalysts:Theory and experimentcitations
- 2011Flame spray synthesis of CoMo/Al2O3 hydrotreating catalystscitations
- 2009Catalysts at work: From integral to spatially resolved X-ray absorption spectroscopycitations
- 2007Combination of flame synthesis and high-throughput experimentation: the preparation of alumina-supported noble metal particles and their application in the partial oxidation of methanecitations
Places of action
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article
CO hydrogenation to methanol on Cu–Ni catalysts
Abstract
<p>We present density functional theory (DFT) calculations for CO hydrogenation on different transition metal surfaces. Based on the calculations, trends are established over the different monometallic surfaces, and scaling relations of adsorbates and transition states that link their energies to only two descriptors, the carbon oxygen binding energies, are constructed. A micro-kinetic model of CO hydrogenation is developed and a volcano-shaped relation based on the two descriptors is obtained for methanol synthesis. A large number of bimetallic alloys with respect to the two descriptors are screened, and CuNi alloys of different surface composition are identified as potential candidates. These alloys, proposed by the theoretical predictions, are prepared using an incipient wetness impregnation method and tested in a high-pressure fixed-bed reactor at 100bar and 250–300°C. The activity based on surface area of the active material is comparable to that of the industrially used Cu/ZnO/Al<sub>2</sub>O<sub>3</sub> catalyst. We employ a range of characterization tools such as inductively coupled plasma optical emission spectroscopy (ICP-OES) analysis, in situ X-ray diffraction (XRD) and in situ transmission electron microscope (TEM) to identify the structure of the catalysts.</p>