Publikationen des Fritz-Haber-Instituts (2001-)
Zeitschriftenartikel (9015)
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 22 (4), 1594–1600 (2026).
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Bergmann, N., K. Reuter und N. Hörmann: Erasing dielectric breakdown artifacts to machine-learn charged Pt-water interfaces. The Journal of Chemical Physics 164 (17), 174110 (2026).
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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 9, 404–413 (2026).
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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 38 (11), e14561 (2026).
Zeitschriftenartikel
, , , , , , C. Scheurer, und : Interlayer Expansion of Bulk MoS2 via Top-Down Organic Pillaring Enables Tunable Li+ Intercalation and Controlled Solvent Co-Intercalation. Advanced Functional Materials, im Druck.
Zeitschriftenartikel
, D. Cruz, , , , P. Zeller, T. Götsch, A. Klyushin, A. Knop-Gericke, , B. Roldan Cuenya, , R. Schlögl und : Dynamic Surface Restructuring and Carbonate-Mediated Pathways in Perovskite-Catalyzed CO Oxidation Revealed by Operando Spectroscopy. ACS Catalysis, im Druck.
Zeitschriftenartikel
, , , , , , , , , , , , , , , , , F. Trinter, , , , und : Site-resolved recoil-induced asymmetry of nondipole molecular-frame photoelectron angular distributions in inner-shell photoionization of CO by 20 keV photons. Physical Review A 113 (5), 053112 (2026).
Zeitschriftenartikel
Diaz Duque, A., , M. Wolf, A.P. Fellows und M. Thämer: Anisotropic Water Structure at Charged Interfaces Studied by Depth-Resolved Vibrational SFG/DFG Spectroscopy. Journal of the American Chemical Society 148 (16), 16679–16689 (2026).
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Dogadov, O., , , , , , , und : Nonequilibrium dynamics of high energy transitions in monolayer WSe2. Journal of Physics: Condensed Matter, 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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Druce, J., F.J. Sarabia, M. Lizée, P. Grosse, S. Lasagna, B. Roldan Cuenya und S. Oener: Correlating Equilibrium Excess Charge with the Kinetics of the Multi-Step Hydrogen Evolution Reaction in Alkaline Media. ACS Energy Letters, im Druck.
Zeitschriftenartikel
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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Elu, U. und : Frontiers of Bright CEP-Stable Broadband Infrared Sources. Laser & Photonics Reviews, im Druck.
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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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Fellows, A.P., , A. Diaz Duque, M. Wolf, und M. Thämer: The importance of layer-dependent molecular twisting for the structural anisotropy of interfacial water. Science Advances 12 (17), eadz5505 (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
und B. Friedrich: A Dialogue on Revolutions and Revolutionaries in Science: A Perspective from Quantum Mechanics. Natural Sciences 6 (3), e70075 (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
Friedrich, B.: Otto Stern - An Involuntary Convert to Quantum Physics. Natural Science 6 (2), e70063 (2026).
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, K. Greis, , C. Kirschbaum, G. Meijer, G.von Helden, , und K. Pagel: Evaluating Participation Modes in Peracetylated Glycosyl Cations. Organic Letters 28 (14), 4337–4342 (2026).
Zeitschriftenartikel
Gomez Rodellar, C., 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
Gomez Rodellar, C., B. Roldan Cuenya und S. Oener: Statistical Aspects of Electrochemical Arrhenius Analysis in the Study of Overpotential-Derived Compensation Effects. ACS Catalysis, im Druck.
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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).
Zeitschriftenartikel
, , , , , , A. Fielicke, und : Size-Selective CO2 Activation at Rhodium Cluster Anions. Journal of the American Chemical Society, im Druck.
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, H. Liu, J. Timoshenko, J.B. Jang, , , , , A. Bergmann, B. Roldan Cuenya, , , und : Sn catalyst reconstruction and microenvironment modulation for efficient amino acid electrosynthesis via C-N coupling. Nature Communications 17, 3614 (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 148 (5), 4833–4838 (2026).
Zeitschriftenartikel
, , , , , , 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).
Zeitschriftenartikel
, , , und : All-electron quasiparticle self-consistent GW for molecules and periodic systems within the numerical atomic orbital framework. The Journal of Chemical Physics 164 (19), 194115 (2026).
Zeitschriftenartikel
Jin, L., , , und C. Scheurer: Aging State Classification of Lithium-Ion Batteries in a Low-Dimensional Latent Space. Batteries 12 (4), 127 (2026).
Zeitschriftenartikel
Kang, K., und : Temperature-dependent optical and magneto-optical spectra of ferromagnetic bcc Fe. Physical Review B 113, 6336–6345 (2026).
Zeitschriftenartikel
, 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).
Zeitschriftenartikel
, , , A.P. Fellows, A. Diaz Duque, M. Thämer, M. Wolf und : Multipolar electric and magnetic contributions to sum-frequency generation spectra reveal biaxial interfacial water structure. Nature Communications 17, 4333 (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).
Zeitschriftenartikel
, , , , , , , , , 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
Lion, K., , , , , und : ß-Ga2O3(001)surface reconstructions from first principles and experiment. Physical Review Materials, im Druck.
Zeitschriftenartikel
Liu, S., Y. Park, , , M. Wolf und A. Shiotari: Thermodynamics and Kinetics of Two-Dimensional H2 Gas on Ag(111) Studied by Tip-Enhanced Raman Spectroscopy. Nano Letters, im Druck.