Scientific Publications

Arriba, A. d.; Delgado Muñoz, D.; Concepción, P.; López Nieto, J. M.: 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)

Azizi, M.; Delesma, F. A.; Giantomassi, M.; Zavickis, D.; Kuisma, M.; Thyghesen, K.; Golze, D.; Buccheri, A.; Zhang, M.-Y.; Rinke, P. et al.; Draxl, C.; Gulans, A.; Gonze, X.: Precision benchmarks for solids: G₀W₀ calculations with different basis sets. Computational Materials Science 250, 113655 (2025)

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

Bellini, G.; Koch, G.; Girgsdies, F.; Dong, J.; Carey, S.; Timpe, O.; Auffermann, G.; Scheffler, M.; Schlögl, R.; Foppa, L. et al.; Trunschke, A.: 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)

Brandt, V.; Fielicke, A.; Meijer, G.; Green, M.: Photoelectron Circular Dichroism in the Photodetachment of Deprotonated 1-Phenylethanol. The Journal of Physical Chemistry Letters 16 (6), pp. 1478 - 1484 (2025)

Carini, G.; Niemann, R.; Müller, N. S.; Wolf, M.; Paarmann, A.: Surface Phonon Polariton Ellipsometry. ACS Photonics 12 (2), pp. 792 - 800 (2025)

Chang, C.-W.; Wehner, D.; Prabhu, G. R. D.; Moon, E.; Safferthal, M.; Bechtella, L.; Österlund, N.; Vos, G. M.; Pagel, K.: Elucidating reactive sugar-intermediates by mass spectrometry. Communications Chemistry 8 (1), 67 (2025)

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

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

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

Delgado Muñoz, D.; Koch, G.; Jiang, S.; Dong, J.; Kröhnert, J.; Schmidt, F.; Lunkenbein, T.; Galdeano Ruano, C.; Gaona-Miguélez, J.; Troya, D. et al.; Oña-Burgos, P.; Trunschke, A.: 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), pp. 5887 - 5903 (2025)

Diesen, E.; Coskun, M. U.; Díaz-Coello, S.; Bukas, V. J.; Kunze-Liebhäuser, J.; Reuter, K.: Rationalizing the “anomalous” electrochemical Stark shift of CO at Pt(111) through vibrational spectroscopy and density-functional theory calculations. Surface Science 754, 122694 (2025)

Gholami, S.; Buttersack, T.; Richter, C.; Trinter, F.; Dupuy, R.; Cablitz, L.; Zhou, Q.; Nicolas, C.; Shavorskiy, A.; Diaman, D. et al.; Hergenhahn, U.; Winter, B.; Bluhm, H.: Interaction of ions and surfactants at the seawater–air interface. Environmental science: Atmospheres (2025)

Gili, A.; Kunz, M.; Gaissmaier, D.; Jung, C.; Jacob, T.; Lunkenbein, T.; Hetaba, W.; Dembélé, K.; Selve, S.; Schomäcker, R. et al.; Gurlo, A.; Bekheet, M. F.: Discovery and Characterization of a Metastable Cubic Interstitial Nickel-Carbon System with an Expanded Lattice. ACS Nano 19 (2), pp. 2769 - 2776 (2025)

Gisbert Gonzalez, J. M.; Rodellar, C. G.; Druce, J.; Ortega, E.; Roldan Cuenya, B.; Oener, S.: Bias Dependence of the Transition State of the Hydrogen Evolution Reaction. Journal of the American Chemical Society 147 (6), pp. 5472 - 5485 (2025)

Han, Y.; Ding, C.; Wang, J.; Gao, H.; Shi, J.; Yu, S.; Jia, Q.; Pan, S.; Sun, J.: Efficient crystal structure prediction based on the symmetry principle. Nature Computational Science (2025)

Harper, A. F.; Huss, T.; Köcher, S. S.; Scheurer, C.: Tracking Li atoms in real-time with ultra-fast NMR simulations. Faraday Discussions 255, pp. 411 - 428 (2025)

Holburg, J.; Figul, S.; Charvat, A.; Bluhm, H.; Abel, B.; Marowsky, G.; Mai, D.-D.; Mann, K.: Soft X-Ray Absorption Spectroscopy With a Flat Liquid Jet in Vacuum Using a Table-Top Laser-Induced Plasma Source. X-Ray Spectrometry (2025)

Hülser, T.; Kreitz, B.; Goldsmith, C. F.; Matera, S.: Multilevel on-the-fly sparse grids for coupling coarse-grained and high fidelity models in heterogeneous catalysis. Computers and Chemical Engineering 194, 108922 (2025)

Jahnke, T.; Mai, S.; Bhattacharyya, S.; Chen, K.; Boll, R.; Castellani, M. E.; Dold, S.; Frühling, U.; Green, A. E.; Ilchen, M. et al.; Ingle, R.; Kastirke, G.; Lam, H. V. S.; Lever, F.; Mayer, D.; Mazza, T.; Mullins, T.; Ovcharenko, Y.; Senfftleben, B.; Trinter, F.; Atia Tul, N.; Usenko, S.; Venkatachalam, A. S.; Rudenko, A.; Rolles, D.; Meyer, M.; Ibrahim, H.; Gühr, M.: Direct observation of ultrafast symmetry reduction during internal conversion of 2-thiouracil using Coulomb explosion imaging. Nature Communications 16 (1), 2074 (2025)