Fritz Haber Institute of the Max Planck Society

Publications by the Fritz Haber Institute (2001-)

Journal Article (8740)

2025

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Aeschlimann, M., J.P. Bange, M. Bauer, U. Bovensiepen, H.-J. Elmers, T. Fauster, L. Gierster, U. Höfer, R. Huber, A. Li, X. Li, S. Mathias, K. Morgenstern, H. Petek, M. Reutzel, K. Rossnagel, G. Schönhense, M. Scholz, B. Stadtmüller, J. Stähler, S. Tan, B. Wang, Z. Wang and M. Weinelt: Time-resolved photoelectron spectroscopy at surfaces. Surface Science 753, 122631 (2025).

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Ainsar, M., K. Kooser, M. Kodu, G. Kelp, A. Tamm, T. Käämbre, P. Möller, T. Romann, M. Hävecker, T. Götsch and G. Nurk: In situ NAP-XPS and electrochemical impedance characterisation of La_0.31Sr_0.58Ti_0.97Ni_0.03O_3-δ thin film model electrodes. Journal of Power Sources 651, 237457 (2025).

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Alcaraz, M.R., M. Montemurro, P.L. Pisano, J.M. Lombardi and S.A. Bortolato: 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, M. Ertegi, 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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Arriba, A.de, D. Delgado Muñoz, P. Concepción and J.M. López Nieto: 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).

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Asadi, Z., C.P. Marshall, A. Trunschke and T. Risse: 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, in press.

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Asadi, Z., P. Ziems, C.P. Marshall, D. Delgado Muñoz, R. Feyerherm, F. Girgsdies, W. Riedel, C. Teutloff, A. Trunschke and T. Risse: 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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Azizi, M., F.A. Delesma, M. Giantomassi, D. Zavickis, M. Kuisma, K. Thyghesen, D. Golze, A. Buccheri, M.-Y. Zhang, P. Rinke, C. Draxl, A. Gulans and X. Gonze: Precision benchmarks for solids: G₀W₀ calculations with different basis sets. Computational Materials Science 250, 113655 (2025).

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Badarinarayana, A.K.M., C. Pratsch, T. Lunkenbein and F. Jug: Pattern Matching-Based Denoising for Images with Repeated Sub-Structures. Machine Learning and Knowledge Extraction 7 (2), 34 (2025).

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Barreau, M., D. Salusso, J. Zhang, M. Hävecker, D. Teschner, A. Efimenko, E. Borfecchia, K. Sobczak and S. Zafeiratos: Thermal Activation and Deactivation of Ni-Doped Ceria Catalysts in CO₂ Methanation. Small Science 5 (5), 2400540 (2025).

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Bauer, C., F. Zareh, L. Nüßlein, J. Frank, M. Boniface, T. Lunkenbein and R. Kempe: 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, G. Auffermann, 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., N. Bonnet, N. Marzari, 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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Blahusch, J., K. Jakob, J. Margraf, K. Reuter and B.V. Lotsch: 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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Bloß, D., R. Dupuy, F. Trinter, I. Unger, N. Walsh, G. Öhrwall, N. Golchert, G. Klassen, A. Krone, Y. Terao, J.H. Viehmann, L. Wülfing, C. Richter, T. Buttersack, L.S. Cederbaum, U. Hergenhahn, O. Björneholm, A. Ehresmann and A. Hans: 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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Bloß, D., N.V. Kryzhevoi, J. Maurmann, P. Schmidt, A. Knie, J.H. Viehmann, C. Küstner-Wetekam, S. Deinert, G. Hartmann, F. Trinter, L.S. Cederbaum, A. Ehresmann, A.I. Kuleff and A. Hans: 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).

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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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Butnarasu, C., M. Safferthal, J. Thomas, T.L. Povolotsky, R. Diehn, K. Fentker, P. Mertins, K. Pagel and D.C. Lauster: 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., S. Bauerecker and T. Leisner: 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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Caliebe, W.A., A. Kalinko, M. Viehweger, S. Pfeffer, J. Horbach, M. Görlitz, S. Peredkov, 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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Campos-Jara, S., T. Roorda, L.P.M. de Jong, V. Virchenko, A. Jiao, M. Prieto, L.C. Tanase, M.A. Mawass, J.-W. Hsueh, V. Calvi, J. van Os, N. Félez-Guerrero, R. Monsma, R. van Rijn, T. Schmidt, G. Schneider and I.M.N. Groot: 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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Cao, Y., E. Keller, J.F. Rowen, J. Margraf, K. Reuter and K. Morgenstern: 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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Chan, Y.-T., C. Grosu, M. Kick, P. Jakes, T. Gigl, S. Seidlmayer, W. Egger, R.-A. Eichel, J. Granwehr, C. Hugenschmidt 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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Chang, C.-W., D. Wehner, G.R.D. Prabhu, E. Moon, M. Safferthal, L. Bechtella, N. Österlund, G.M. Vos and K. Pagel: Elucidating reactive sugar-intermediates by mass spectrometry. Communications Chemistry 8 (1), 67 (2025).

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Chee, S.W. and B. Roldan Cuenya: Revealing the Structure and Chemistry of Electrocatalysts during Reaction with Correlated Electrochemical Liquid Cell Electron and X-ray Microscopy. Microscopy and Microanalysis 31 (Suppl. 1), 1430–1430 (2025).

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Chekhov, A., Y. Behovits, J. Heitz, M.-A. Syskaki, S. Jaiswal, O. Gückstock, B. Rosinus Serrano, A. Ruge, J. Kredl, M. Wolf, M. Münzenberg, G. Jakob, M. Kläui, T. Seifert and T. Kampfrath: Distortion-free sampling of ultrabroadband terahertz electric fields by interfacial spin accumulation. Science Advances 11 (12), eadq7741 (2025).

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Cheng, D., K.-L.C. Nguyen, V. Sumaria, Z. Wei, Z. Zhang, W. Gee, Y. Li, C.G. Morales-Guio, M. Heyde, B. Roldan Cuenya, A.N. Alexandrova and P. Sautet: Structure Sensitivity and Catalyst Restructuring for CO₂ Electro-reduction on Copper. Nature Communications 16, 4064 (2025).

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Cherasse, M., N. Heshmati, J. Urban, F. Ünlü, M.S. Spencer, M. Frenzel, L. Perfetti, S. Mathur and S.F. Maehrlein: Enhanced Lattice Coherences and Improved Structural Stability in Quadruple A-Site Substituted Lead Bromide Perovskites. Small 21 (21), 2500977 (2025).

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Cho, Y.K., S.-H. Jeon, J.Y. Park, H. Kim, B.-J. Shim, K. Nam, S.S. Köcher, H. Lee, H.-K. Woo, J.H. Park, Y. Kim, J.-S. Kim, H. Lee and I.-S. Shin: Discovery of a new coreactant for highly efficient and reliable electrochemiluminescence. Cell Reports Physical Science 6 (10), 102864 (2025).

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Choi, J., K. Nam, Y.T. Malik, R. Leiter, M. Zarrabeitia, C. Scheurer and S. Fleischmann: Interlayer Spacing Control of MoS₂ with Covalent Thiol Functionalization: Understanding Structure and Electrochemistry from Experiments and Simulation. ACS Nano 19 (40), 35425–35437 (2025).

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Cruz, D., S. Żółtowska, O. Savateev, M. Antonietti and P. Giusto: Carbon nitride caught in the act of artificial photosynthesis. Nature Communications 16, 374 (2025).

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Cui, M., K. Reuter and 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).

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Dahlmann, F., C.E. Griesbach, A.Y. Torres-Boy, G.von Helden, M.W. Peczuh, K. Pagel and K. Greis: Direct Experimental Characterization of a Sialyl Cation. Chemistry – A European Journal 31 (7), e202403724 (2025).

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Das Mohapatra, B., R. Rouzegar, E. Papaioannou, T. Kampfrath and G. Schmidt: Controlling charge dynamics in nanopatterned spintronic terahertz emitters. Physical Review Applied 23 (1), 014024 (2025).

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de Abajo, F.J.G., D.N. Basov, F.H.L. Koppens, L. Orsini, M. Ceccanti, S. Castilla, L. Cavicchi, M. Polini, P.A.D. Gonçalves, A.T. Costa, N.M.R. Peres, N.A. Mortensen, S. Bharadwaj, Z. Jacob, P.J. Schuck, A.N. Pasupathy, M. Delor, M.K. Liu, A. Mugarza, P. Merino, M.G. Cuxart, E. Chávez-Angel, M. Švec, L.H.G. Tizei, F. Dirnberger, H. Deng, C. Schneider, V. Menon, T. Deilmann, A. Chernikov, K.S. Thygesen, Y. Abate, M. Terrones, V.K. Sangwan, M.C. Hersam, L. Yu, X. Chen, T.F. Heinz, P. Murthy, M. Kroner, T. Smolenski, D. Thureja, T. Chervy, A. Genco, C. Trovatello, G. Cerullo, S.D. Conte, D. Timmer, A.D. Sio, C. Lienau, N. Shang, H. Hong, K. Liu, Z. Sun, L.A. Rozema, P. Walther, A. Alù, A. Marini, M. Cotrufo, R. Queiroz, X.-Y. Zhu, J.D. Cox, E.J.C. Dias, Á.R. Echarri, F. Iyikanat, P. Herrmann, N. Tornow, S. Klimmer, J. Wilhelm, G. Soavi, Z. Sun, S. Wu, Y. Xiong, O. Matsyshyn, R.K. Kumar, J.C.W. Song, T. Bucher, A. Gorlach, S. Tsesses, I. Kaminer, J. Schwab, F. Mangold, H. Giessen, M.S. Sánchez, D.K. Efetov, T. Low, G. Gómez-Santos, T. Stauber, G. Álvarez-Pérez, J. Duan, L. Martín-Moreno, A. Paarmann, J.D. Caldwell, A.Y. Nikitin, P. Alonso-González, N.S. Müller, V. Volkov, D. Jariwala, T. Shegai, J. van de Groep, A. Boltasseva, I.V. Bondarev, V.M. Shalaev, J. Simon, C. Fruhling, G. Shen, D. Novko, S. Tan, B. Wang, H. Petek, V. Mkhitaryan, R. Yu, A. Manjavacas, J.E. Ortega, X. Cheng, R. Tian, D. Mao, D.V. Thourhout, X. Gan, Q. Dai, A. Sternbach, Y. Zhou, M. Hafezi, D. Litvinov, M. Grzeszczyk, K.S. Novoselov, M. Koperski, S. Papadopoulos, L. Novotny, L. Viti, M.S. Vitiello, N.D. Cottam, B.T. Dewes, O. Makarovsky, A. Patanè, Y. Song, M. Cai, J. Chen, D. Naveh, H. Jang, S. Park, F. Xia, P.K. Jenke, J. Bajo, B. Braun, K.S. Burch, L. Zhao and X. Xu: Roadmap for Photonics with 2D Materials. ACS Photonics 12 (8), 3961–4095 (2025).

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Delgado Muñoz, D., G. Koch, S. Jiang, J. Dong, J. Kröhnert, F. Schmidt, T. Lunkenbein, C. Galdeano Ruano, J. Gaona-Miguélez, D. Troya, P. Oña-Burgos and 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).

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Dembélé, K., J. Wang, M. Boniface, J. Folke, L. Sandoval Diaz, F. Girgsdies, A. Hammud, D. Kordus, G. Koch, Z. Gheisari, R. Blume, W. Jiang, A. Knop-Gericke, R. Eckert, S. Reitmeier, A. Reitzmann, R. Schlögl, B. Roldan Cuenya, J. Timoshenko, H. Ruland and T. Lunkenbein: The Haber Bosch Catalyst from Solid state Chemistry to Mesotechnology. Advanced Energy Materials 15 (33), 2500159 (2025).

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Diaconescu, L., S. Schaller, A. Fielicke and G. Meijer: Analysis of Rydberg Series of Ytterbium Monofluoride, YbF. Journal of Physical Chemistry C 129 (26), 5843–5850 (2025).

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Díaz-Núñez, P., C. Lanza, Z. Wang, V.G. Kravets, J. Duan, J. Álvarez-Cuervo, A.T. Martín-Luengo, A.N. Grigorenko, Q. Yang, A. Paarmann, J. Caldwell, P. Alonso-González and A. Mishchenko: Visualization of topological shear polaritons in gypsum thin films. Science Advances 11 (29), eadw3452 (2025).

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Diesen, E., M.U. Coskun, S. Díaz-Coello, V.J. Bukas, J. Kunze-Liebhäuser and 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).

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Diesen, E., A. Dudzinski, K. Reuter and V.J. Bukas: Origin of Electrocatalytic Selectivity during the Oxygen Reduction Reaction on Au(111). ACS Catalysis 15 (7), 5403–5411 (2025).

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Ding, Y., T. Gimpel, A. Klyushin, S. Tigges, Y. Dang, M. Poschmann, F. Song, R. Schlögl and S. Heumann: Surficial Functionalization of Monolithic Carbon Electrode via Femtosecond Laser Treatment. ChemElectroChem 12 (19), e202500189 (2025).

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Ducci, G., M.A. Kouyate, K. Reuter and C. Scheurer: Pareto-based optimization of sparse dynamical systems. The Journal of Chemical Physics 162 (11), 114118 (2025).

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Dwivedi, J., L.J. Bachmann, A. Jeromin, S. Kulkarni, H. Noei, L.C. Tanase, A. Tiwari, L.de S. Caldas, T. Schmidt, B. Roldan Cuenya, A. Stierle and T.F. Keller: Spectro-Microscopy of Individual Pt-Rh Core-Shell Nanoparticles during Competing Oxidation and Alloying. ACS Nano 19 (31), 28516–28529 (2025).

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Eibl, S., Y. Yao, M. Scheffler, M. Rampp, L.M. Ghiringhelli and T. Purcell: A high-performance and portable implementation of the SISSO method for CPUs and GPUs. Machine Learning: Science and Technology 6 (4), 047001 (2025).

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Elu, U., M. Krenz, M. Pawliszewska, A. Rossetti, F. Tani, J. Biegert and M. Wolf: A high-energy self-CEP-stable OPCPA seeder using a high-average-power picosecond narrowband Yb thin-disc laser. Optics Letters 50 (21), 6646–6649 (2025).

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Felsen, F., C. Kunkel, K. Reuter and C. Scheurer: Adaptive designs for the exploration of reaction kinetic phase transitions. Chemical Engineering Journal Advances 22, 100746 (2025).

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Filser, J., E. Bainglass, K. Reuter and O. Andreussi: Coupling all-electron full-potential density functional theory with grid-based continuum embeddings. The Journal of Chemical Physics 163 (16), 164103 (2025).

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Foppa, L. and M. Scheffler: Coherent collections of rules describing exceptional materials identified with a multi-objective optimization of subgroups. Digital Discovery 4 (8), 2175–2187 (2025).

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