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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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Savan, Alan
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (66/66 displayed)
- 2025Does Pb Underpotential Deposition Rearrange Surface-near Atoms in AgAu Films and Nanoparticles?
- 2024Combinatorial screening of electronic and geometric effects in compositionally complex solid solutions toward a rational design of electrocatalystscitations
- 2023Combinatorial screening of electronic and geometric effects in compositionally complex solid solutions toward a rational design of electrocatalysts
- 2023Isopropanol electro-oxidation on Pt-Ru-Ircitations
- 2023Long‐range SECCM enables high‐throughput electrochemical screening of high entropy alloy electrocatalysts at up‐to‐industrial current densitiescitations
- 2023Local structure and magnetic properties of a nanocrystalline Mn-rich Cantor alloy thin film down to the atomic scalecitations
- 2023Acidic hydrogen evolution electrocatalysis at high‐entropy alloys correlates with its composition‐dependent potential of zero chargecitations
- 2023Reassessing the intrinsic hydrogen evolution reaction activity of platinum using scanning electrochemical cell microscopycitations
- 2023Reorganization energy in a polybromide ionic liquid measured by scanning electrochemical cell microscopycitations
- 2022Zooming‐in - visualization of active site heterogeneity in high entropy alloy electrocatalysts using scanning electrochemical cell microscopycitations
- 2022Linear growth of reaction layer during in-situ TEM annealing of thin film Al/Ni diffusion couplescitations
- 2022Unravelling composition-activity-stability trends in high entropy alloy electrocatalysts by using a data‐guided combinatorial synthesis strategy and computational modelingcitations
- 2022High-throughput discovery of hydrogen evolution electrocatalysts in the complex solid solution system Co-Cr-Fe-Mo-Nicitations
- 2022Correlations of composition, structure, and hardness in the high-entropy alloy system Nb-Mo-Ta-Wcitations
- 2021Stabilization of an iridium oxygen evolution catalyst by titanium oxidescitations
- 2021Atomic scale understanding of phase stability and decomposition of a nanocrystalline CrMnFeCoNi Cantor alloycitations
- 2021Bayesian optimization of high‐entropy alloy compositions for electrocatalytic oxygen reductioncitations
- 2021Electrocatalytic oxidation of 2-propanol on PtxIr100-x bifunctional electrocatalysts - aA thin-film materials library studycitations
- 2021Nanocrystalline equiatomic CoCrFeNi alloy thin films: Are they single phase fcc?citations
- 2021Nanocrystalline equiatomic CoCrFeNi alloy thin filmscitations
- 2021Searching novel complex solid solution electrocatalysts in unconventional element combinationscitations
- 2020Complex‐solid‐solution electrocatalyst discovery by computational prediction and high‐throughput experimentationcitations
- 2020Microstructure evolution and thermal stability of equiatomic CoCrFeNi films on (0001) alpha-Al2O3citations
- 2020Structure Zone Investigation of Multiple Principle Element Alloy Thin Films as Optimization for Nanoindentation Measurementscitations
- 2020Design of complex solid solution electrocatalysts by correlating configuration, adsorption energy distribution patterns and activity curvescitations
- 2020Correlative chemical and structural investigations of accelerated phase evolution in a nanocrystalline high entropy alloycitations
- 2020Structure zone investigation of multiple principle element alloy thin films as optimization for nanoindentation measurements
- 2020Design von komplexen Mischkristall‐Elektrokatalysatoren auf Basis der Korrelation von Konfiguration, Verteilungsmustern der Adsorptionsenergie und Aktivitätskurvencitations
- 2020Microstructure evolution and thermal stability of equiatomic CoCrFeNi films on (0001) α-Al2O3citations
- 2019Microstructure evolution and orientation relationships of CoCrFeNi thin films grown on (0001) alpha-Al2O3
- 2019Toward a paradigm shift in electrocatalysis using complex solid solution nanoparticlescitations
- 2018Discovery of a multinary noble metal-free oxygen reduction catalystcitations
- 2018Using Instability of a Non-stoichiometric Mixed Oxide Oxygen Evolution Catalyst As a Tool to Improve Its Electrocatalytic Performancecitations
- 2018Atomic-scale investigation of fast oxidation kinetics of nanocrystalline CrMnFeCoNi thin filmscitations
- 2018Investigation of high-entropy alloys compositions for radiation damage applications
- 2018Combinatorial metallurgical synthesis and processing of high-entropy alloyscitations
- 2016Oxygen and hydrogen evolution reactions on Ru, RuO2, Ir, and IrO2 thin film electrodes in acidic and alkaline electrolytes: A comparative study on activity and stabilitycitations
- 2015Combinatorial synthesis and high-throughput characterization of the thin film materials system Co-Mn-Ge: Composition, structure, and magnetic propertiescitations
- 2014Potential-resolved dissolution of Pt-Cu: A thin-film material library studycitations
- 2014Composition-Dependent Oxygen Reduction Activity and Stability of Pt-Cu Thin Filmscitations
- 2014Electrochemistry on binary valve metal combinatorial libraries: niobium-tantalum thin filmscitations
- 2014Properties of anodic oxides grown on a hafnium-tantalum-titanium thin film librarycitations
- 2013Pt-Cu alloys as catalysts for the oxygen reduction reaction - a thin-film study of activity and stabilitycitations
- 2013High-throughput compositional and structural evaluation of a Lia(NixMnyCoz)Or thin film battery materials librarycitations
- 2013Scanning droplet cell microscopy on a wide range hafnium-niobium thin film combinatorial librarycitations
- 2013Synthesis of Au microwires by selective oxidation of Au–W thin-film composition spreadscitations
- 2013Layered WO3/TiO2 nanostructures with enhanced photocurrent densitiescitations
- 2012High-throughput study of martensitic transformations in the complete Ti–Ni–Cu systemcitations
- 2011Combinatorial investigation of Fe–B thin-film nanocompositescitations
- 2011Combinatorial Development of Fe-Pd-X thin film systems with improved intrinsic properties
- 2011Gefügeanalyse dünner Schichten
- 2010Engineered tungsten oxy-nitride thin film materials for photocatalytical water splitting fabricated by MOCVDcitations
- 2010Identification of optimized Ti-Ni-Cu shape memory alloy compositions for thin film actuator applications
- 2010Identification of optimized Ti-Ni-Cu shape memory alloy compositions for high-frequency thin film microactuator applicationscitations
- 2010The ferromagnetic shape memory system Fe-Pd-Cu
- 2010Identification of quaternary shape memory alloys with near-zero thermal hysteresis and unprecedented functional stabilitycitations
- 2009A combinatorial passivation study of Ta–Ti alloyscitations
- 2008Investigation of thin coatings from Mn-Co-Fe system deposited by PVD on metallic interconnects for SOFC Applicationscitations
- 2008High throughput growth and in situ characterization of anodic oxides on Ti, Ta and Hf combinatorial alloys
- 2008Investigation of thin film Mn-Co-Fe spinel oxide coatings deposited by RF-Magnetron sputtering on metallic interconnects for SOFC applications
- 2008Combinatorial development of Fe-Pd-Mn ferromagnetic shape memory thin films
- 2008Combinatorial development of Ti-Ni-X shape memory thin film actuators
- 2008Combinatorial microelectrochemistry with a scanning droplet cell on binary and ternary Ti, Ta and Hf alloys
- 2008Investigation of the protective properties of Mn-Co-Fe Spinel films deposited by magnetron sputtering on ferritic stainless steel for SOFC Applications
- 2006Design and application of gradient annealing devices for the parallel thermal processing of Fe/Pt multilayerscitations
- 2006Structural and magnetic characteristics of FeCo thin films modified by combinatorial ion implantationcitations
Places of action
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article
Unravelling composition-activity-stability trends in high entropy alloy electrocatalysts by using a data‐guided combinatorial synthesis strategy and computational modeling
Abstract
High entropy alloys (HEA) comprise a huge search space for new electrocatalysts. Next to element combinations, the optimization of the chemical composition is essential for tuning HEA to specific catalytic processes. Simulations of electrocatalytic activity can guide experimental efforts. Yet, the currently available underlying model assumptions do not necessarily align with experimental evidence. To study deviations of theoretical models and experimental data requires statistically relevant datasets. Here, a combinatorial strategy for acquiring large experimental datasets of multi-dimensional composition spaces is presented. Ru–Rh–Pd–Ir–Pt is studied as an exemplary, highly relevant HEA system. Systematic comparison with computed electrochemical activity enables the study of deviations from theoretical model assumptions for compositionally complex solid solutions in the experiment. The results suggest that the experimentally obtained distribution of surface atoms deviates from the ideal distribution of atoms in the model. Leveraging both advanced simulation and large experimental data enables the estimation of electrocatalytic activity and solid-solution stability trends in the 5D composition space of the HEA system. A perspective on future directions for the development of active and stable HEA catalysts is outlined.