Publikationen des Fritz-Haber-Instituts (2001-)
Zeitschriftenartikel (8821)
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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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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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).
Zeitschriftenartikel
, , , , , , , 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.
Zeitschriftenartikel
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).
Zeitschriftenartikel
, , , , 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).
Zeitschriftenartikel
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.
Zeitschriftenartikel
, , , , , , , , 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).
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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
, , , , , , , 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.
Zeitschriftenartikel
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
, 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
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).
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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.
Zeitschriftenartikel
Tomanik, L., F. Trinter, und B. Winter: Electron spectroscopy for chemical analysis of liquids. Chemical Science, im Druck.
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).
Zeitschriftenartikel
Zhou, Y., , , B. Roldan Cuenya und C. Kley: Carbonate anions and radicals induce interfacial water ordering in CO2 electroreduction on gold. Nature Chemistry 18 (3), 473–481 (2026).
Zeitschriftenartikel
, , , und A. Paarmann: Polaritons in mesoscale structures and quantum materials: introduction. Optical Materials Express 16 (2), 264–265 (2026).
2025
Zeitschriftenartikel
, , , , , , , , , , , , , , , , , , , J. Stähler, , , und : Time-resolved photoelectron spectroscopy at surfaces. Surface Science 753, 122631 (2025).
Zeitschriftenartikel
Aggoune, W. und M. Scheffler: Defect-driven switchable polarization in SrTiO3. Physical Review Materials 9 (11), 114601 (2025).
Zeitschriftenartikel
, , , , , , , , M. Hävecker, T. Götsch und : In situ NAP-XPS and electrochemical impedance characterisation of La0.31Sr0.58Ti0.97Ni0.03O3-δ thin film model electrodes. Journal of Power Sources 651, 237457 (2025).
Zeitschriftenartikel
, , , J.M. Lombardi und : Functional data analysis, a comprehensive framework for processing non-quadrilinear and low-selective data provided by four-way liquid chromatography analysis. Analytica Chimica Acta 1356, 344044 (2025).
Zeitschriftenartikel
Alkan, B., L.J. Duarte Correa, F. Girgsdies, G. Koch, J. Kröhnert, , S. Jiang, T. Lunkenbein und A. Trunschke: From “Single Sites” to Stable Nanoparticles Derived from Spray-Flame Synthesized Solid Solutions of Cobalt in MgO for Ammonia Decomposition. ACS Catalysis 15 (7), 5781–5795 (2025).
Zeitschriftenartikel
, D. Delgado Muñoz, und : Mixed metal oxide bronzes as catalysts for the gas-phase aerobic transformation of glycerol to acrylic acid: Single or double catalytic bed approaches. Catalysis Today 443, 114965 (2025).
Zeitschriftenartikel
, C.P. Marshall, A. Trunschke und : Revealing the Active State of a Cu/ZnO:Al Catalyst During Reverse Water-Gas Shift Reaction in an Operando Microwave Absorption Study. Angewandte Chemie International Edition 64 (46), 2202504280 (2025).
Zeitschriftenartikel
, , C.P. Marshall, D. Delgado Muñoz, , F. Girgsdies, , , A. Trunschke und : Defects in Al-Doped ZnO in Reactions with CO2 and H2: An In Situ/Operando cw ESR-Study. The Journal of Physical Chemistry C 129 (41), 18841–18854 (2025).
Zeitschriftenartikel
, , , , , , , , M.-Y. Zhang, , , und : Precision benchmarks for solids: G0W0 calculations with different basis sets. Computational Materials Science 250, 113655 (2025).
Zeitschriftenartikel
, , T. Lunkenbein und : Pattern Matching-Based Denoising for Images with Repeated Sub-Structures. Machine Learning and Knowledge Extraction 7 (2), 34 (2025).
Zeitschriftenartikel
, , , M. Hävecker, D. Teschner, , , und : Thermal Activation and Deactivation of Ni-Doped Ceria Catalysts in CO2 Methanation. Small Science 5 (5), 2400540 (2025).