Publikationen des Fritz-Haber-Instituts (2001-)
Zeitschriftenartikel (8644)
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, 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
, , , , , , , , 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).
Zeitschriftenartikel
, , , , M. Boniface, T. Lunkenbein und : The Synthesis of Hydroquinolines from Nitroaldehydes and Ketones by Hydrogenation Sequences and Condensations. Chemistry – A European Journal 31 (28), e20250462 (2025).
Zeitschriftenartikel
Bellini, G., G. Koch, F. Girgsdies, J. Dong, S. Carey, O. Timpe, , M. Scheffler, R. Schlögl, L. Foppa und 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).
Zeitschriftenartikel
, , F. Trinter, , , , , , , , , , C. Richter, T. Buttersack, , U. Hergenhahn, , und : 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).
Zeitschriftenartikel
, , , , , , , , , F. Trinter, , , und : 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).
Zeitschriftenartikel
Brandt, V., A. Fielicke, G. Meijer und M. Green: Photoelectron Circular Dichroism in the Photodetachment of Deprotonated 1-Phenylethanol. The Journal of Physical Chemistry Letters 16 (6), 1478–1484 (2025).
Zeitschriftenartikel
, M. Safferthal, , , , , , K. Pagel und : 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).
Zeitschriftenartikel
, , , , , , , A. Bergmann und J. Timoshenko: The New OperandoCat Beamline P63 at PETRA III. Journal of Physics: Conference Series 3010, 012168 (2025).
Zeitschriftenartikel
, E. Keller, , J. Margraf, K. Reuter und : Self-Assembly of Monosized Cyclic Nanoarchitectures under Surface Confinement. ACS Nano 19 (24), 21942–21949 (2025).
Zeitschriftenartikel
Carini, G., R. Niemann, N.S. Müller, M. Wolf und A. Paarmann: Surface Phonon Polariton Ellipsometry. ACS Photonics 12 (2), 792–800 (2025).
Zeitschriftenartikel
, , G.R.D. Prabhu, , M. Safferthal, , , G.M. Vos und K. Pagel: Elucidating reactive sugar-intermediates by mass spectrometry. Communications Chemistry 8 (1), 67 (2025).
Zeitschriftenartikel
Chekhov, A., Y. Behovits, J. Heitz, , , O. Gückstock, B. Rosinus Serrano, A. Ruge, , M. Wolf, , , , T. Seifert und T. Kampfrath: Distortion-free sampling of ultrabroadband terahertz electric fields by interfacial spin accumulation. Science Advances 11 (12), eadq7741 (2025).
Zeitschriftenartikel
, K.-L.C. Nguyen, , , , , , , M. Heyde, B. Roldan Cuenya, und : Structure Sensitivity and Catalyst Restructuring for CO2 Electro-reduction on Copper. Nature Communications 16, 4064 (2025).
Zeitschriftenartikel
Cherasse, M., , J. Urban, , M.S. Spencer, M. Frenzel, , und S.F. Maehrlein: Enhanced Lattice Coherences and Improved Structural Stability in Quadruple A-Site Substituted Lead Bromide Perovskites. Small 2500977 (2025).
Zeitschriftenartikel
Cruz, D., , , und : Carbon nitride caught in the act of artificial photosynthesis. Nature Communications 16, 374 (2025).
Zeitschriftenartikel
Cui, M., K. Reuter und J. Margraf: Multi-fidelity transfer learning for quantum chemical data using a robust density functional tight binding baseline. Machine Learning: Science and Technology 6 (1), 015071 (2025).
Zeitschriftenartikel
, , A.Y. Torres-Boy, G.von Helden, , K. Pagel und K. Greis: Direct Experimental Characterization of a Sialyl Cation. Chemistry – A European Journal 31 (7), e202403724 (2025).
Zeitschriftenartikel
, R. Rouzegar, , T. Kampfrath und : Controlling charge dynamics in nanopatterned spintronic terahertz emitters. Physical Review Applied 23 (1), 014024 (2025).
Zeitschriftenartikel
Delgado Muñoz, D., G. Koch, S. Jiang, J. Dong, J. Kröhnert, F. Schmidt, T. Lunkenbein, , , , und A. Trunschke: Low-Temperature Exsolution of Rh from Mixed ZnFeRh Oxides toward Stable and Selective Catalysts in Liquid-Phase Hydroformylation. Journal of the American Chemical Society 147 (7), 5887–5903 (2025).
Zeitschriftenartikel
Dembélé, K., , M. Boniface, , L. Sandoval Diaz, F. Girgsdies, A. Hammud, D. Kordus, G. Koch, , R. Blume, W. Jiang, A. Knop-Gericke, , , , R. Schlögl, B. Roldan Cuenya, J. Timoshenko, und T. Lunkenbein: The Haber Bosch Catalyst from Solid state Chemistry to Mesotechnology. Advanced Energy Materials 2500159 (2025).
Zeitschriftenartikel
Diaconescu, L., S. Schaller, A. Fielicke und G. Meijer: Analysis of Rydberg Series of Ytterbium Monofluoride, YbF. Journal of Physical Chemistry C, im Druck.
Zeitschriftenartikel
Diesen, E., , , V.J. Bukas, und K. Reuter: Rationalizing the “anomalous” electrochemical Stark shift of CO at Pt(111) through vibrational spectroscopy and density-functional theory calculations. Surface Science 754, 122694 (2025).
Zeitschriftenartikel
Diesen, E., A. Dudzinski, K. Reuter und V.J. Bukas: Origin of Electrocatalytic Selectivity during the Oxygen Reduction Reaction on Au(111). ACS Catalysis 15 (7), 5403–5411 (2025).
Zeitschriftenartikel
Ducci, G., M.A. Kouyate, K. Reuter und C. Scheurer: Pareto-based optimization of sparse dynamical systems. The Journal of Chemical Physics 162 (11), 114118 (2025).
Zeitschriftenartikel
Felsen, F., C. Kunkel, K. Reuter und C. Scheurer: Adaptive designs for the exploration of reaction kinetic phase transitions. Chemical Engineering Journal Advances 22, 100746 (2025).
Zeitschriftenartikel
, , , , J. Timoshenko, B. Roldan Cuenya, , und : NiFe and NiCo core-shell nanoparticles supported on graphene as efficient catalysts for oxygen evolution reaction. International Journal of Hydrogen Energy 130, 313–323 (2025).
Zeitschriftenartikel
, S. Matera, und : Quantum dynamics of coupled excitons and phonons in chain-like systems: Tensor train approaches and higher-order propagators. The Journal of Chemical Physics 162 (15), 154115 (2025).
Zeitschriftenartikel
Gholami, S., T. Buttersack, C. Richter, F. Trinter, , L. Cablitz, Q. Zhou, , , , U. Hergenhahn, B. Winter und H. Bluhm: Interaction of ions and surfactants at the seawater–air interface. Environmental science: Atmospheres 5 (3), 291–299 (2025).
Zeitschriftenartikel
, , , , , T. Lunkenbein, , K. Dembélé, , , und : Discovery and Characterization of a Metastable Cubic Interstitial Nickel-Carbon System with an Expanded Lattice. ACS Nano 19 (2), 2769–2776 (2025).
Zeitschriftenartikel
Gisbert Gonzalez, J.M., C.G. Rodellar, J. Druce, E. Ortega, B. Roldan Cuenya und S. Oener: Bias Dependence of the Transition State of the Hydrogen Evolution Reaction. Journal of the American Chemical Society 147 (6), 5472–5485 (2025).
Zeitschriftenartikel
Gönnheimer, N., K. Reuter und J. Margraf: Beyond Numerical Hessians: Higher-Order Derivatives for Machine Learning Interatomic Potentials via Automatic Differentiation. Journal of Chemical Theory and Computation 21 (9), 4742–4752 (2025).
Zeitschriftenartikel
Götsch, T., und D. Teschner: Connecting the dots in a pH-dependent oxygen evolution reaction. Nature Chemistry, im Druck.
Zeitschriftenartikel
, G. Meijer und : A Tribute to Alec M. Wodtke. The Journal of Physical Chemistry A 129 (13), 2973–2975 (2025).
Zeitschriftenartikel
, , , H. Gao, , , , und : Efficient crystal structure prediction based on the symmetry principle. Nature Computational Science 5 (3), 255–267 (2025).
Zeitschriftenartikel
Harper, A.F., T. Huss, S.S. Köcher und C. Scheurer: Tracking Li atoms in real-time with ultra-fast NMR simulations. Faraday Discussions 255, 411–428 (2025).
Zeitschriftenartikel
, , , H. Bluhm, , , und : Soft X-Ray Absorption Spectroscopy With a Flat Liquid Jet in Vacuum Using a Table-Top Laser-Induced Plasma Source. X-Ray Spectrometry, im Druck.
Zeitschriftenartikel
Horlebein, J., , G.P. Szekeres, G.von Helden, und K. Pagel: Gas-phase purification enables structural studies of amyloid intermediates. Trends in Chemistry 7 (6), 317–332 (2025).
Zeitschriftenartikel
Hörmann, N.: Grand canonical view on electrochemical energetics at applied potential in a nutshell. Current Opinion in Electrochemistry 51, 101656 (2025).
Zeitschriftenartikel
, , , , , , , , , , , , , , , , , , , , , , , , , K. Reuter, , C. Scheurer, , , und : Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations. The Journal of Physical Chemistry A 129 (24), 5373–5390 (2025).
Zeitschriftenartikel
Hülser, T., , und S. Matera: Multilevel on-the-fly sparse grids for coupling coarse-grained and high fidelity models in heterogeneous catalysis. Computers and Chemical Engineering 194, 108922 (2025).
Zeitschriftenartikel
, , , L.J. Duarte Correa, , , , T. Lunkenbein, und : Synthesis and crystal structures of new phases in the system Hf–Ta–O–N. Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences, im Druck.
Zeitschriftenartikel
, , , L.J. Duarte Correa, T. Lunkenbein, , und : Synthesis, Characterization, and Catalytic Testing of η-Carbide-Type Phases in the System Fe-Co-Mo-N. Zeitschrift für anorganische und allgemeine Chemie, im Druck.
Zeitschriftenartikel
, , B. Alkan, D. Delgado Muñoz, , , , , A. Trunschke, und : Assessing the Activity of Transition Metal Oxides for the Electrochemical N2 Oxidation to Nitrate. ACS Catalysis 15 (8), 6315–6333 (2025).
Zeitschriftenartikel
, , , , , , , , , , , , , , , , , , , F. Trinter, , , , , , , und : Direct observation of ultrafast symmetry reduction during internal conversion of 2-thiouracil using Coulomb explosion imaging. Nature Communications 16 (1), 2074 (2025).