Data

Link to the Research Data Management System: RDMS

Publications

2025

Divyansh Gautam, Gustav K. H. Wiberg, Jonathan Quinson, Di Wang, Christian M. Clausen, Rasmus Rohde, Rebekka Klemmt, Jan Rossmeisl, Espen Drath Bøjesen, Matthias Arenz (2025)
Noble Metal‐Based High Entropy Alloy Nanoparticles Prepared by Pulsed Electrodeposition: An Approach for Medium Throughput Studies
Small Structures, DOI: 10.1002/sstr.202500666

Felix Thelen, Rico Zehl, Ridha Zerdoumi, Jan Lukas Bürgel, Lars Banko, Wolfgang Schuhmann, Alfred Ludwig (2025)
Accelerating Combinatorial Electrocatalyst Discovery with Bayesian Optimization: a Case Study in the Quaternary System Ni‐Pd‐Pt‐Ru for the Oxygen Evolution Reaction
Advanced Science, DOI: doi.org/10.1002/advs.202507302

Zhe Meng, Henrik H. Kristoffersen, Jan Rossmeisl (2025)
Formic Acid Electroreduction Pathways on (111) Metal Surfaces
ChemPhysChem, DOI: 10.1002/cphc.202500247

Wiljar Lobjakas; Christian M. Clausen; Jaak Nerut; Jan Rossmeisl (2025)
Machine Learning-Accelerated Computational Screening of Pt-Modified Cantor Alloys as High-Entropy Electrocatalysts for Oxygen Reduction Reaction
High Entropy Alloys & Materials, DOI: 10.1007/s44210-025-00063-5

Nico C. Röttcher, Jiahua Zhou, Lukas Löttert, Karl J. J. Mayrhofer, Dominik Dworschak (2025)
Tracing Iridium Dissolution Pathways in Proton Exchange Membrane Water Electrolyzers at Relevant Current Densities in Real Time
ChemElectroChem, DOI: 10.1002/celc.202500098

Menglong Liu; Divyansh Gautam; Christian M. Clausen; Ahmad Tirmidzi; Gustav K. H. Wiberg; Jan Rossmeisl; Matthias Arenz (2025)
Electrochemical synthesis of high entropy nanoparticles and the exploration of the Pd–Ag–Au composition space for the oxygen reduction reaction
Faraday Discussions, DOI: 10.1039/d5fd00095e, 10.48620/91722

Martin Lillebro Striib Nielsen, Jack Kirk Pedersen, Marcus Frahm Nygaard, Mads Kastrup Plenge, Henrik Høgh Kristoffersen, Jan Rossmeisl (2025)
Modelling adsorbate coverage on complex alloy surfaces
Faraday Discussions, DOI: 10.1039/d5fd00089k

Jan Lukas Bürgel, Rico Zehl, Felix Thelen, Ridha Zerdoumi, Olga A. Krysiak, Bendikt Kohnen, Ellen Suhr, Wolfgang Schuhmann, Alfred Ludwig (2025)
Exploration of nanostructured high-entropy alloys for key electrochemical reactions: a comparative study for the solid solution systems Cu-Pd-Pt-Ru, Ir-Pd-Pt-Ru and Ni-Pd-Pt-Ru
Faraday Discussions, DOI: 10.1039/d5fd00082c

Felix Thelen, Florian Lourens, Alfred Ludwig (2025)
Accelerating Surface Composition Characterization of Thin‐Film Materials Libraries Using Multi‐Output Gaussian Process Regression
Advanced Intelligent Discovery, DOI: doi.org/10.1002/aidi.202500062

F. Thelen, R. Zehl, J.L. Bürgel, D. Depla, A. Ludwig (2025)
A python-based approach to sputter deposition simulations in combinatorial materials science
Surface & Coatings Technology 503 (2025) 131998, DOI: 10.1016/j.surfcoat.2025.131998

Mads K. Plenge; Jack K. Pedersen; Luis A. Cipriano; Jan Rossmeisl (2025)
Electrochemical Dissolution: Paths in High-Entropy Alloy Composition Space
High Entropy Alloys & Materials, DOI: 10.1007/s44210-025-00057-3, 10.26434/chemrxiv-2024-4vt27

Mailde S. Ozório; Marcus Frahm Nygaard; Jan Rossmeisl (2025)
Competitive Strain Modulation of Oxygen Reduction Reaction in Monolayer Binary Alloy Surfaces
Journal of Catalysis, DOI: 10.1016/j.jcat.2025.115988, 10.26434/chemrxiv-2024-j9g93

2024

M. F. Nygaard, M. L. S. Nielsen, J. Rossmeisl (2024)
Adsorbate Resonance Induces Water-Metal Bonds in Electrochemical Interfaces
Angew. Chem. Int. Ed. 2024, e202417308, DOI: 10.1002/anie.202417308

V. Strotkötter, Y. Li, F. Lourens, A. Kostka, T. Löffler, W. Schuhmann, A. Ludwig (2024) 
Self-Formation of Compositionally Complex Surface Oxides on High Entropy Alloys Observed by Accelerated Atom Probe Tomography: A Route to Sustainable Catalysts
Materials Horizons, 11, 4932-4941, DOI: 10.1039/D4MH00245H