Publikationen des Fritz-Haber-Instituts (2001-)
Zeitschriftenartikel (8836)
2026
Zeitschriftenartikel
, , , , , , W. Jiang, , T. Lunkenbein, und : Reversibly Redox Active Iron Oxide Structures in FeNC Catalysts Identified by Microscopy and Spectroelectrochemical EPR and Mössbauer Methods. Journal of the American Chemical Society 148 (4), 3995–4007 (2026).
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, P. König, X.Q. Tran, , H. Türk, A. Hammud, Z. Gheisari, , , F. Schmidt, R. Blume, P. Zeller, , , A. Knop-Gericke, K. Reuter, , C. Scheurer und T. Lunkenbein: Interfacial Atomic and Electronic Structures of LSM/YSZ Thin Films as Models for SOC Air Electrodes. ChemElectroChem 13 (6), e202500343 (2026).
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, , , F. Yang, , , B. Roldan Cuenya, , und : Multiscale Analysis of Electrochemical Dealloying of Bimetallic Nanoparticles to Tune Catalytic Activity. ACS Applied Materials & Interfaces 18 (15), 21964–21977 (2026).
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Beiersdorfer, A., , , und : GAP vs. MACE: efficiency evaluation in a liquid electrolyte system. Machine Learning: Science and Technology 7 (1), 015016 (2026).
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, G. Valtolina, und : Cavity-Induced Enhancement of Reaction Rate for a Weakly Asymmetric Isotope Exchange Reaction. Journal of Chemical Theory and Computation, im Druck.
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, , , , , , , D. Teschner und : Gold-Modified Rare Earth Oxides with Tunable Lattice Oxygen Reactivity for N2O Synthesis. ACS Catalysis 16 (7), 6509–6524 (2026).
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Bierhance, G., , , , , , , , , , , M. Wolf, , , , und T. Kampfrath: Terahertz time-domain signatures of the inverse Edelstein effect in topological-insulator/ferromagnet heterostructures. Physical Review Applied 25 (2), 024054 (2026).
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Boniface, M., T. Götsch, J. Dong, J. Kröhnert, E. Frei, A. Trunschke, R. Schlögl, B. Roldan Cuenya und T. Lunkenbein: Dynamics of a Cu/ZnO/Al2O3 catalyst revealed by operando transmission electron microscopy during CO2 hydrogenation. Nature Catalysis, im Druck.
Zeitschriftenartikel
Brandt, V., M. Pugini, , , , und D. Stemer: Photoelectron spectroscopy and circular dichroism of an open-shell organometallic camphor complex. Structural Dynamics 13 (1), 014301 (2026).
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Carini, G., , E. Gelžinytė, , , , , N.S. Müller, G. Álvarez-Pérez, , , R. Niemann, , , , , , , , , M. Wolf, K. Reuter, , , , C. Carbogno, , und A. Paarmann: Spectral Tuning of Hyperbolic Shear Polaritons in Monoclinic Gallium Oxide via Isotopic Substitution. Advanced Materials, im Druck.
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Dogadov, O., , , , , , , , , und : Dissecting intervalley coupling mechanisms in monolayer transition metal dichalcogenides. npj 2D Materials and Applications 10, 21 (2026).
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Duarte Correa, L.J., F. Girgsdies, K. Skorupska, T. Lunkenbein und : Electron beam-induced transformation of LDH and derived materials. Micron 202, 103985 (2026).
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, , , , , , , , , , , H. Bluhm, und : Evolution of Size-Selected Pt Cluster Catalysts on Prototypical Oxide Supports. Faraday Discussions, im Druck.
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Fellows, A.P.: Wasting light to reveal structural heterogeneity in biomolecular films. Bunsen-Magazin 28 (1), 19–22 (2026).
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, , , , , , , M. Hävecker, , , , , , A. Knop-Gericke, B. Roldan Cuenya, R. Schlögl, , und : Realizing Scalable Chemical Vapor Deposition of Monolayer Graphene Films on Iron with Concurrent Surface Hardening by In Situ Observations. ACS Applied Materials & Interfaces 18 (5), 8567–8579 (2026).
Zeitschriftenartikel
Foppa, L. und M. Scheffler: Rethinking Catalysis: Interpretable AI and Description of Real-World Conditions via Materials Genes. Faraday Discussions, im Druck.
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Friedrich, B.: Otto Stern - An Involuntary Convert to Quantum Physics. Natural Science 6 (2), e70063 (2026).
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Grosse, P., , F. Landwehr, A.R. Silva Olaya, D. Escalera Lopez, , , S. Oener und B. Roldan Cuenya: In-Liquid Plasma Catalysis for Nitrogen Reduction. ACS Energy Letters 11 (1), 378–388 (2026).
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, , , , D. Teschner, , , , und : Observation of Transition from Rate Law to Butler-Volmer Controlled Water Oxidation Kinetics on Hematite Photoanodes. Journal of the American Chemical Society, im Druck.
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, , , , , , N. Hörmann, , und : MC3D: the Materials Cloud computational database of experimentally known stoichiometric inorganics. Digital Discovery 5 (3), 1114–1131 (2026).
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Hursán, D., J. Timoshenko, A. Martini, H.S. Jeon, E. Ortega, M. Rüscher, A. Bergmann, A. Yoon, U. Hejral, A. Herzog, C. Rettenmaier, F. Haase, P. Grosse und B. Roldan Cuenya: CO2 Reduction on Copper-Nitrogen-Doped Carbon Catalysts Tuned by Pulsed Potential Electrolysis: Effect of Pulse Potential. Advanced Functional Materials 36 (21), e10827 (2026).
Zeitschriftenartikel
Huss, T., F. Civaia, S.S. Köcher, K. Reuter, und C. Scheurer: Simulating quadrupolar NMR dynamics in solid electrolyte Li10GeP2S12. The Journal of Chemical Physics 164 (8), 084116 (2026).
Zeitschriftenartikel
Jakob, K., , K. Reuter und J. Margraf: Learning Crystallographic Disorder: Bridging Prediction and Experiment in Materials Discovery. Advanced Materials 38 (5), e14226 (2026).
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, H.I. Rivera-Arrieta, , L. Foppa, M. Scheffler, und : Role of monodentate formate in product selectivity for CO2 hydrogenation on Pd-based alloy catalysts. Faraday Discussions, im Druck.
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, , , , , , , , H.I. Rivera-Arrieta, M. Scheffler, , , , , , , , und : The Important Role of Alloy–Oxide Interfaces in Controlling Methanol Formation in CO2 Hydrogenation. ACS Catalysis 16 (3), 2209–2221 (2026).
Zeitschriftenartikel
, D. Stemer, B. Credidio, , , , , , , , , , , , N. Velasquez, , , , F. Trinter und : Oxygen-specific photoelectron circular dichroism in gas-phase fenchone. Physical Review Research 8, 013340 (2026).
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, , , , , , , , , F. Trinter, , , , und : Generative modeling enables molecular structure retrieval from Coulomb explosion imaging. Nature Communications 17, 3430 (2026).
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Liberra, E., L. Bai, T. Wagner, A. Etxebarria, L. Jacobse, M. Rüscher, E. Ortega, J. Timoshenko, A. Bergmann und B. Roldan Cuenya: Selectivity and Active State Formation During Pulsed CO2 Electroreduction in Cation-Modified Electrolyte. ChemElectroChem 13 (3), e202500459 (2026).
Zeitschriftenartikel
Lizée, M., A.R. Silva Olaya, J. Druce, B. Roldan Cuenya und S. Oener: Disentangling multistep kinetics by combining electrochemical Arrhenius analysis with micro-kinetic modelling. Faraday Discussions, im Druck.
Zeitschriftenartikel
, , , , , , , F. Trinter, , , und : Double to Tenfold M-shell Photoionization of Singly Charged Lanthanum Ions. The Astrophysical Journal 997 (2), 199 (2026).
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Monteiro, M.C.O., L. Jacobse, , , , , , E.Ö. Alagöz, , B. Roldan Cuenya, und : Cation-Surface Interactions During Electrocatalytic Hydrogen Evolution Probed by Surface X-ray Diffraction. ACS Physical Chemistry Au, im Druck.
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Müller, N.S., A.P. Fellows, B. John, , C. Carbogno, , D. Balaz, , H. Heenen, C. Scheurer, K. Reuter, , M. Wolf, , M. Thämer und A. Paarmann: Full Crystallographic Imaging of Hexagonal Boron Nitride Monolayers with Phonon-Enhanced Sum-Frequency Microscopy. Advanced Materials 38 (7), e10124 (2026).
Zeitschriftenartikel
, J. Margraf, , K. Reuter und : Interplay between shape and composition in bimetallic nanoparticles revealed by an efficient optimal-exchange optimization algorithm. The Journal of Chemical Physics 164 (7), 074104 (2026).
Zeitschriftenartikel
Öztuna, E., T. Götsch, D. Cruz, P. Zeller, O.V. Vinogradova, Z. Li, C. Rohner, F. Schmidt, Z. Gheisari, , , M. Hävecker, E. Stotz, I. Antonyshyn, F. Girgsdies, O. Timpe, T. Lunkenbein, V.J. Bukas, K. Reuter, R. Schlögl, K. Skorupska, A. Knop-Gericke und B. Roldan Cuenya: Operando X-ray Spectroscopy Study of Pd and Pd-Au Laterally Condensed Catalysts during Selective Acetylene Hydrogenation: The Role of Carbon. Advanced Materials, im Druck.
Zeitschriftenartikel
, A. Trunschke, Y. Wang und : Unraveling the Temperature Effects on the Raman Spectra of V2O5 by Combining Machine Learning and Molecular Dynamics. The Journal of Physical Chemistry Letters 17 (15), 4459–4466 (2026).
Zeitschriftenartikel
Pare, C.W.P., , C. Kunkel, , , C. Scheurer, und K. Reuter: Adaptive Experiment Planning for Inverse Design and Understanding: Synergistic Interactions as Key to Optimized Multi-Promoter Formulations. ACS Catalysis 16 (7), 6798–6807 (2026).
Zeitschriftenartikel
, N.S. Müller, , und : Correlation of near-field optical microscopy and tip-assisted photoluminescence. Journal of Microscopy 301 (1), 20–29 (2026).
Zeitschriftenartikel
Poths, P., , C. Scheurer, S. Matera und K. Reuter: Kinetic restructuring of catalyst active sites: A MACE-APE study of fluxional Pdn/MgO (n=3-11) clusters. Faraday Discussions, im Druck.
Zeitschriftenartikel
, , , , , , , , S.F. Maehrlein, , , , , , und : About Carrier's Self-Trapping and Dynamical Rashba Splitting in the 2D Hybrid Perovskite (BA)2(MA)2Pb3l10. Small, im Druck.
Zeitschriftenartikel
Rodellar, C.G., J. Druce, J.M. Gisbert Gonzalez, F.J. Sarabia, B. Roldan Cuenya und S. Oener: The role of interfacial excess charge in the reversibility of proton and hydroxide solvation in electrocatalysis and bipolar membranes. Proceedings of the National Academy of Sciences of the United States of America 123 (16), e2531938123 (2026).
Zeitschriftenartikel
Sandoval Diaz, L., T. Götsch, D. Cruz, M. Vuijk, J.M. Lombardi, , K. Dembélé, A. Hammud, K. Reuter, C. Scheurer, A. Knop-Gericke und T. Lunkenbein: Stabilizing Frustrated Phase Transitions in Selective Oxidation Reactions. Advanced Materials 38 (8), e15292 (2026).
Zeitschriftenartikel
Schumann, J., , , , A. Moshantaf, , , und A. Trunschke: Enabling open and FAIR catalysis data with standardized data structures. Nature Catalysis 9 (3), 225–229 (2026).
Zeitschriftenartikel
, M. Frenzel, S.F. Maehrlein und : Disentangling Electronic and Ionic Nonlinear Polarization Effects in Bulk THz Kerr Response. Physical Review Letters 136 (10), 109041 (2026).
Zeitschriftenartikel
, D. Teschner, T. Jones und : Charge accumulation and solvation in β-NiOOH: Surface chemistry of an OER catalyst from ML-aided simulations. The Journal of Chemical Physics 164 (1), 014701 (2026).
Zeitschriftenartikel
, , J. Timoshenko, , , , , , , B. Roldan Cuenya, und : Strategies to Stabilize Inductively Heating Fe Nanoparticles for Catalyzing the CO2 Conversion to Syngas via Reverse Water Gas Shift. ACS Catalysis 16 (1), 344–355 (2026).
Zeitschriftenartikel
, E. Liberra, , , , , , A. Bergmann, B. Roldan Cuenya und : Cu2O@COF core-shell catalyst for electrochemical CO2 reduction. Journal of Materials Chemistry A, im Druck.
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Timoshenko, J., , A. Martini und B. Roldan Cuenya: Multivariate curve resolution for X-ray absorption spectroscopy data interpretation: Best practices and limitations. Radiation Physics and Chemistry 245, 113898 (2026).
Zeitschriftenartikel
Tomanik, L., F. Trinter, und B. Winter: Electron spectroscopy for chemical analysis of liquids. Chemical Science 17 (12), 6156–6164 (2026).
Zeitschriftenartikel
Trinter, F., , , , , , , , , , , , , , , , und : Tracking the Complex Dynamics of Electron-Transfer-Mediated Decay in Real Space and Time. Journal of the American Chemical Society 148 (4), 4126–4135 (2026).
Zeitschriftenartikel
, , , F. Trinter, , , , , , , , , , und : Probing Instantaneous Single-Molecule Chirality in the Planar Ground State of Formic Acid. Physical Review Letters 136 (4), 043001 (2026).