Journal Article (8889)
2026
Journal Article
, , , , , , , , S.F. Maehrlein, , , , , , and : About Carrier's Self-Trapping and Dynamical Rashba Splitting in the 2D Hybrid Perovskite (BA)2(MA)2Pb3l10. Small 22 (17), e11410 (2026).
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Sandoval Diaz, L., T. Götsch, D. Cruz, M. Vuijk, J.M. Lombardi, , K. Dembélé, A. Hammud, K. Reuter, C. Scheurer, A. Knop-Gericke and T. Lunkenbein: Stabilizing Frustrated Phase Transitions in Selective Oxidation Reactions. Advanced Materials 38 (8), e15292 (2026).
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Schumann, J., , , , A. Moshantaf, , , and A. Trunschke: Enabling open and FAIR catalysis data with standardized data structures. Nature Catalysis 9 (3), 225–229 (2026).
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, M. Frenzel, S.F. Maehrlein and : Disentangling Electronic and Ionic Nonlinear Polarization Effects in Bulk THz Kerr Response. Physical Review Letters 136 (10), 109041 (2026).
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, D. Teschner, T. Jones and : 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).
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, , J. Timoshenko, , , , , , , B. Roldan Cuenya, and : 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).
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Szekeres, G.P., , J. Riedel, J. Horlebein, G.R.D. Prabhu, M. Götze, , and K. Pagel: Cryogenic Gas-phase IR Spectroscopy on a Commercial Ion Mobility-Mass Spectrometry Platform. Analytical Chemistry, in press.
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, E. Liberra, , , , , , A. Bergmann, B. Roldan Cuenya and : Cu2O@COF core-shell catalyst for electrochemical CO2 reduction. Journal of Materials Chemistry A 14 (27), 17179–17185 (2026).
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Timoshenko, J., , A. Martini and B. Roldan Cuenya: Multivariate curve resolution for X-ray absorption spectroscopy data interpretation: Best practices and limitations. Radiation Physics and Chemistry 245, 113898 (2026).
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Tomanik, L., F. Trinter, and B. Winter: Electron spectroscopy for chemical analysis of liquids. Chemical Science 17 (12), 6156–6164 (2026).
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Tomanik, L., , , , , B. Credidio, H. Kaur, , B. Winter and : Proton Sharing in Polycarboxylic Acids in Aqueous Solution. JACS Au, in press.
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Trinter, F., , , , , , , , , , , , , , , , and : 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).
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, , , F. Trinter, , , , , , , , , , and : Probing Instantaneous Single-Molecule Chirality in the Planar Ground State of Formic Acid. Physical Review Letters 136 (4), 043001 (2026).
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Vita, A.de, , , , , , , , , , , R. Ernstorfer, T. Pincelli, , and : Uncovering surface states of the Dirac semimetal BaMg2Bi2. Physical Review B 113 (3), 035148 (2026).
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Vita, A.de, , , , , , , M. Wolf, L. Rettig, R. Ernstorfer and T. Pincelli: Orbital mixing and strong Hund's coupling stabilize spin order in the van der Waals ferromagnet CrI3. Physical Review B 113 (20), 205120 (2026).
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Vuijk, M., , L. Sandoval Diaz, , B. Roldan Cuenya, K. Reuter, T. Lunkenbein and C. Scheurer: Multiscale Microscopy via Automation: Dual Magnification Environmental Scanning Electron Microscopy Imaging by Frame Alternation. Advanced Materials Technologies, in press.
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, G.R.D. Prabhu, , G. Meijer, G.von Helden and K. Pagel: Steroid Fingerprinting with Cryogenic Gas-Phase Infrared Spectroscopy. ACS Measurement Science Au, in press.
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, , X. Wan, , , , , , , , , and : Electronic, Dielectric, and Optical Properties of High-κOxides and Their Interfaces with Silicon. The Journal of Physical Chemistry C 130 (17), 6336–6345 (2026).
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Wang, Y., , , R. Schlögl and A. Trunschke: Revealing the Dynamic Evolution and Reactivity of Oxygen Species over Cu-Exchanged Zeolites: Insights from In Situ Multiwavelength Raman Spectroscopy. The Journal of Physical Chemistry C 130 (17), 6154–6165 (2026).
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Yoon, A., F. Yang, J. Poon, S.W. Chee and B. Roldan Cuenya: Does the Pre-catalyst Shape Matter in the Electrocatalytic Reduction of CO2? Tracking Mosaicity and Porosity Development in Cu2O Particles during Reaction. EES Catalysis, in press.
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Zhou, Y., , , B. Roldan Cuenya and C. Kley: Carbonate anions and radicals induce interfacial water ordering in CO2 electroreduction on gold. Nature Chemistry 18 (3), 473–481 (2026).
2025
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, , , , , , , , , , , , , , , , , , , J. Stähler, , , and : Time-resolved photoelectron spectroscopy at surfaces. Surface Science 753, 122631 (2025).
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Aggoune, W. and M. Scheffler: Defect-driven switchable polarization in SrTiO3. Physical Review Materials 9 (11), 114601 (2025).
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, , , , , , , , M. Hävecker, T. Götsch and : 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).
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, , , J.M. Lombardi and : 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).
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Alkan, B., L.J. Duarte Correa, F. Girgsdies, G. Koch, J. Kröhnert, , S. Jiang, T. Lunkenbein and 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).
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, D. Delgado Muñoz, and : 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).
Journal Article
, C.P. Marshall, A. Trunschke and : 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).
Journal Article
, , C.P. Marshall, D. Delgado Muñoz, , F. Girgsdies, , , A. Trunschke and : 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).
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, , , , , , , , M.-Y. Zhang, , , and : Precision benchmarks for solids: G0W0 calculations with different basis sets. Computational Materials Science 250, 113655 (2025).
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, , T. Lunkenbein and : Pattern Matching-Based Denoising for Images with Repeated Sub-Structures. Machine Learning and Knowledge Extraction 7 (2), 34 (2025).
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, , , M. Hävecker, D. Teschner, , , and : Thermal Activation and Deactivation of Ni-Doped Ceria Catalysts in CO2 Methanation. Small Science 5 (5), 2400540 (2025).
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, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , H. Heenen, , , , , , K. Jakob, H. Jung, , , , , , , , , , , , , , , , , , , , , , K. Reuter, , , , , , , , , , , , , , , , M. Vondrák, , , , and : A foundation model for atomistic materials chemistry. The Journal of Chemical Physics 163 (18), 184110 (2025).
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, , , , M. Boniface, T. Lunkenbein and : The Synthesis of Hydroquinolines from Nitroaldehydes and Ketones by Hydrogenation Sequences and Condensations. Chemistry – A European Journal 31 (28), e20250462 (2025).
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Bellini, G., G. Koch, F. Girgsdies, J. Dong, S. Carey, O. Timpe, , M. Scheffler, R. Schlögl, L. Foppa and A. Trunschke: CO Oxidation Catalyzed by Perovskites: The Role of Crystallographic Distortions Highlighted by Systematic Experiments and Artificial Intelligence. Angewandte Chemie International Edition 64 (6), e202417812 (2025).
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Bergmann, N., , , K. Reuter and N. Hörmann: Machine Learning the Energetics of Electrified Solid-Liquid Interfaces. Physical Review Letters 135 (14), 146201 (2025).
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, K. Jakob, J. Margraf, K. Reuter and : Predict before You Precipitate: Learning Templating Effects in Hybrid Antimony and Bismuth Halides. Chemistry of Materials 37 (14), 5027–5035 (2025).
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, , F. Trinter, , , , , , , , , , C. Richter, T. Buttersack, , U. Hergenhahn, , and : Site- and Energy-Selective Low-Energy Electron Emission by X-rays in the Aqueous Phase. Journal of the American Chemical Society 147 (25), 22115–22120 (2025).
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, , , , , , , , , F. Trinter, , , and : Interplay of protection and damage through intermolecular processes in the decay of electronic core holes in microsolvated organic molecules. Physical Chemistry Chemical Physics 27 (18), 9329–9335 (2025).
Journal Article
Brandt, V., A. Fielicke, G. Meijer and M. Green: Photoelectron Circular Dichroism in the Photodetachment of Deprotonated 1-Phenylethanol. The Journal of Physical Chemistry Letters 16 (6), 1478–1484 (2025).
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, M. Safferthal, , , , , , K. Pagel and : Structural determinants of mucins in influenza virus inhibition: The role of sialylated glycans and molecular size. International Journal of Biological Macromolecules 307 (4), 142357 (2025).
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Buttersack, T., and : Challenges in contactless temperature determination of supercooled aqueous droplets. Proceedings of the National Academy of Sciences of the United States of America 122 (41), e2511453122 (2025).
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, , , , , , , A. Bergmann and J. Timoshenko: The New OperandoCat Beamline P63 at PETRA III. Journal of Physics: Conference Series 3010, 012168 (2025).
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, , , , , M. Prieto, L.C. Tanase, M.A. Mawass, J.-W. Hsueh, , , , , , T. Schmidt, and : Novel Precursor for h-BN Synthesis on Ni(111) Substrates. The Journal of Physical Chemistry C 129 (35), 15693–15701 (2025).
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, E. Keller, , J. Margraf, K. Reuter and : Self-Assembly of Monosized Cyclic Nanoarchitectures under Surface Confinement. ACS Nano 19 (24), 21942–21949 (2025).
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Carini, G., R. Niemann, N.S. Müller, M. Wolf and A. Paarmann: Surface Phonon Polariton Ellipsometry. ACS Photonics 12 (2), 792–800 (2025).
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, , , , , , , R. Ernstorfer, , , , , , , , , , , , L. Rettig, , , , , , , , , and : The 2025 roadmap to ultrafast dynamics: frontiers of theoretical and computational modeling. JPhys Materials 9 (1), 012501 (2025).
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Chan, Y.-T., , M. Kick, , , , , , , and C. Scheurer: The origin of enhanced conductivity and structure change in defective Li4Ti5O12: a study combining theoretical and experimental perspectives. Journal of Materials Chemistry A 13 (38), 32149–32158 (2025).
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, , G.R.D. Prabhu, , M. Safferthal, , , G.M. Vos and K. Pagel: Elucidating reactive sugar-intermediates by mass spectrometry. Communications Chemistry 8 (1), 67 (2025).