TO TOP

2025

November

[31] H. Yu, S. Xue, E. L. Gubanova, J. Zhou, R. Bautista, A. V. Himmelreich, and A. S. Bandarenka (2025) Cation-Dependent interfacial properties determine the activity of PT(111) electrodes in alkaline media, ACS Catalysis  15, 19721–19730(2025b).

October

[30] J. Shi, G. A. de Oliveira, X. Wang, J. Zhang, I. Cechanaviciute, J. Fortmann, A. Ludwig, and W. Schuhmann (2025). Co-Cu Materials Library Screening for Discovering Electrocatalysts for the Co-Reduction of CO2 and Nitrate to Urea. ChemistryEurope.

[29] J. Yang, B. Li, S. Mattoso, A. Abdelkawy, M. Todorova, J. Neugebauer (2025). Macro-Dipole Constrained Learning of Atomic Charges for Accurate Electrostatic Potentials at Elechtrochemical Interfaces. arxiv.org.

[28] A.S. Petersen, T.K. Madsen, T.K. Sarpey, C.M. Schott, E.L. Gubanova, A.V. Himmelreich, A.S. Bandarenka, J. Rossmeisl (2025) Determining the Potential of Maximum Entropy from Ab Initio Molecular Dynamics, Advanced Theory And Simulations.

September

[27] H. Yu, R. Sechi, Q. Liao, M.S. Nissen, A. Bhowmik, E.L. Gubanova, K. Song, H.A. Hansen, A.S. Bandarenka (2025) Adsorption Dynamics and Electric Double Layer Properties at Pt(100) Electrodes. Advanced Materials Interfaces.

[26] L. Zhang, M. Stricker (2025). Iterative Corpus Refinement for Materials Property Reduction Based on Scientific Texts. Machine Learning and Knowledge Discovery in Databases. Applied Data Science Track. ECML PKDD 2025. Lecture Notes in Computer Science, vol 16021, (pp. 89–103). 

July

[25] P. Jain, P. Hosseini, A. Kostka, E. Budiyanto, P. Diehl, M. Muhler, H. Tüysüz, D. Wu, T. Li (2025). Morphological, Structural and Compositional Evolution of PtPdFeCoNi High-Entropy Alloy Nanoparticles toward Bifunctional Oxygen Electrocatalysis. Faraday Discuss., Accepted Manuscript.

[24] Q. Li, S. Cheong, A. R. Poerwoprajitno, S. Xiang, A. I. Frenkel, Y. Yang, N. M. Bedford, S. Umer, M. Lessio, I. Ohnishi, Z. R. Ramadhan, D. L. Huber, L. Dai, W. Schuhmann, J. J. Gooding, and R. D. Tilley (2025). How the Arrangement of Platinum Atoms on Ruthenium Nanoparticles Improves Hydrogen Evolution Activity.  Adv. Mat.

June

[23] S. García, C. Bobed (2025) Information-Aware Entity Indexing in Knowledge Graphs to Enable Semantic Search. In: Lecture notes in computer science. S. 208–226

[22] F. Thelen, R. Zehl, R. Zerdoumi, J. L. Bürgel, L. Banko, W. Schuhmann, A. 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. Adv. Sci., 12(35), e07302.

[21] J. L. Bürgel, R. Zehl, F. Thelen, R. Zerdoumi, O. A. Krysiak, B. Kohnen, E. Suhr, W. Schuhmann and A. 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 Discuss., Accepted Manuscript

May

[20] L. Zhang, L. Banko, W. Schuhmann, A. Ludwig, & M. Stricker (2025). Composition-property extrapolation for compositionally complex solid solutions based on word embeddings. Digital Discovery, Advance Article.

[19] C.M. Schott, J. Holl, R. Zazpe, M. Kopp, O. Man, S.M. Thalluri, J. Rodriguez-Pereira, P.M. Schneider, K-T. Song, E. Keles, P. Peljo, J. Jasielec, E.L. Gubanova, J.M. Macak, A.S. Bandarenka (2025). Revealing catalytic properties of palladium gold systems toward hydrogen evolution, oxidation, and absorption with scanning electrochemical microscopy, ACS Catalysis 15, 9035-9046

[18] V. Dudarev, L. Banko, & A. Ludwig (2025). An extensible open-source solution for research digitalisation in materials science, Npj Computational Materials, 11(1)

April

[17] M. K. Plenge, J. K. Pedersen, L. A. Cipriano, J. Rossmeisl (2025). Electrochemical Dissolution: Paths in Hign-Enthropy Alloy Composition Space, High Enthropy Alloys & Materials, 3, 165-177 (2025).

March

[16] F. Thelen, R. Zehl, J. L. Bürgel, D. Depla, and A. Ludwig (2025). A python-based approach to sputter deposition simulations in combinatorial materials science, Surface and Coatings Technology, 503, 131998

[15] A. A. Papaderakis, E. Paschalidou, L. Z. Medina, E. Hatipoglu, A. Saksena, B. Gault, B. Sefer, D. Malmström, P. Hosseini, O. Trost, A. Lozinko, M. Ramkaran, A. Juel, K. Tschulik, R. A. Dryfe (2025). Hydrogen-induced superhydrophilicity in an amorphous CrFeNi-based multi-principal element alloy thin film, Acta Materialia, 286, 120756.

February

[14] C. Schott, L. Hofbauer, E. Gubanova, P. Schneider, A. Bandarenka (2025). Scanning impedance microscopy under oxygen reduction reaction conditions. Proof of the concept, Electrochimica Acta, 513, 145533.

January

[13] D. Nettler, J. Clausmeyer, A. Savan, P. Cignoni, C. Rurainsky, R. Drautz, A. Ludwig, K. Tschulik (2025). Does Pb underpotential deposition rearrange surface-near atoms in AgAu films and nanoparticles? Electrochimica Acta, 518, 145776.

[12] K.-T. Song, P. M. Schneider, I. Grabovac, B. Garlyyev, S. A. Watzele, A. S. Bandarenka (2025). Influence of the electrolyte pH on the double layer capacitance of polycrystalline Pt and Au electrodes in acidic solutions, ChemElectroChem, 12(4), 202400587.

2024

December

[11] A. Ngoipala, C. Schott, V. Briega‐Martos, M. Qamar, M. Mrovec, S. J. Nikkhah, T. O. Schmidt, L. Deville, A. Capogrosso, L. Moumaneix, T. Kallio, A. Viola, F. Maillard, R. Drautz, A. S. Bandarenka, S. Cherevko, M. Vandichel, E. L. Gubanova (2024). Hydride‐Induced reconstruction of Pd electrode surfaces: A combined computational and experimental study, Advanced Materials, 37(4), 2207951.

November

[10] Y. Li, A. Kostka, A. Savan, A. Ludwig (2024) Investigation of Solid-State Interface Reactions Between the Compositionally Complex Solid Solution Noble Metal Alloy Ag-Au-Pd-Pt and Si, Advanced Materials Interfaces, 2400772.

[9] C. M. Schott, P. M. Schneider, K. Song, H. Yu, R. Götz, F. Haimerl, E. Gubanova, J. Zhou, T. O. Schmidt, Q. Zhang, V. Alexandrov, A. S. Bandarenka (2024) How to assess and predict electrical double layer properties. Implications for electrocatalysis, Chemical Reviews, 124(22), 12391–12462.

October

[8] M. F. Nygaard, M. L. S. Nielsen, J. Rossmeisl (2024) Adsorbate resonance induces Water‐Metal bonds in electrochemical interfaces, Angewandte Chemie International Edition, 64, 7, e202417308.

September

[7] L. Han, S. Zhu, Z. Rao, C. Scheu, D. Ponge, A. Ludwig, H. Zhang, O. Gutfleisch, H. Hahn, Z. Li, D. Raabe (2024) Multifunctional high-entropy materials, Nature Reviews Materials, 9, 846–865.

[6] G. A. De Oliveira, M. Kim, C. S. Santos, N. Limani, T. D. Chung, E. B. Tetteh, W. Schuhmann (2024) Controlling surface wetting in High-Alkaline Electrolytes for single facet PT Oxygen Evolution Electrocatalytic Activity mapping by scanning electrochemical cell microscopy, Chemical Science, 15, 16331–16337.

[5] R. Zerdoumi, A. Ludwig, W. Schuhmann (2024) High entropy intermetallic compounds: A discovery platform for structure-property correlations and materials design principles in electrocatalysis, Current Opinion in Electrochemistry, 48, 101590.

August

[4] C. Luan, D. Escalera-López, U. Hagemann, A. Kostka, G. Laplanche, D. Wu, S. Cherevko, T. Li (2024) Revealing Dynamic Surface and Subsurface Reconstruction of High-Entropy Alloy Electrocatalysts during the Oxygen Evolution Reaction at the Atomic Scale, ACS Catalysis, 14 (17), 12704–12716.

[3] J. Ke, Z. Zacouris, M. Acosta (2024) Efficient Validation of SHACL Shapes with Reasoning, Proceedings of the VLDB Endowment, 17, 11, 3589–3601.

July

[2] F. C. Østergaard, F. Abild-Pedersen, J. Rossmeisl (2024) Coverage, repulsion, & reactivity of hydrogen on High-Entropy alloys, Journal of Catalysis, 435, 115570.

June

[1] R. Zerdoumi, T. Quast, E. B. Tetteh, M. Kim, L. Li, S. Dieckhöfer, W. Schuhmann (2024) Integration of Scanning Electrochemical Microscopy and Scanning Electrochemical Cell Microscopy in a Bifunctional Nanopipette toward Simultaneous Mapping of Activity and Selectivity in Electrocatalysis, Analytical Chemistry 96, 27, 10886–10892.