Suchergebnisse

Foppa, L.; Scheffler, M.: Coherent collections of rules describing exceptional materials identified with a multi-objective optimization of subgroups. Digital Discovery (2025)

Cao, Y.; Keller, E.; Rowen, J. F.; Margraf, J.; Reuter, K.; Morgenstern, K.: Self-Assembly of Monosized Cyclic Nanoarchitectures under Surface Confinement. ACS Nano 19 (24), S. 21942 - 21949 (2025)

Hund, S.; Jancke, M. C.; Ristig, S.; Duarte Correa, L. J.; Lunkenbein, T.; Ruland, H.; Heppke, E. M.; Lerch, M.: Synthesis, Characterization, and Catalytic Testing of η-Carbide-Type Phases in the System Fe-Co-Mo-N. Zeitschrift für anorganische und allgemeine Chemie 651 (9), e202400218 (2025)

Pożarowska, E.; Pleines, L.; Prieto, M.; Tanase, L. C.; Caldas, L. d. S.; Tiwari, A.; Schmidt, T.; Fälta, J.; Morales, C.; Flege, J. I.: The relationship between Sm alloying and structure sensitivity of ceria(111)- and (100)-oriented nanoislands on Cu(111)†. Physical Chemistry Chemical Physics 2025 (2025)

Valenzuela Reina, J.; Barysch, V. M.; Szczuka, C.; Köcher, S. S.; Granwehr, J.; Scheurer, C.: Decoding the AlPO₄ and LATP surface with a combined NMR-DFT approach†. Energy Advances (2025)

Kokott, S.; Blum, V.; Scheffler, M.: Efficient computation of the long-range exact exchange using an extended screening function. The Journal of Chemical Physics 162 (22), 224103 (2025)

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

Hourahine, B.; Berdakin, M.; Bich, J. A.; Bonafé, F. P.; Camacho, C.; Cui, Q.; Deshaye, M. Y.; Mirón Díaz, G.; Ehlert, S.; Elstner, M. et al.; Frauenheim, T.; Goldman, N.; León González, R. A.; van der Heide, T.; Irle, S.; Kowalczyk, T.; Kubař, T.; Lee, I. S.; Lien-Medrano, C. R.; Maryewski, A.; Melson, T.; Min, S. K.; Niehaus, T.; Niklasson, A. M. N.; Pecchia, A.; Reuter, K.; Sánchez, C. G.; Scheurer, C.; Sentef, M. A.; Stishenko, P. V.; Vuong, V. Q.; Aradi, B.: Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations. The Journal of Physical Chemistry A 129 (24), S. 5373 - 5390 (2025)

Malicka, W.; Kagelmacher, M.; Jaworek, M. W.; Winter, R.; Bechtella, L.; Pagel, K.; Koksch, B.; Herrmann, A.; Dernedde, J.; Risse, T. et al.; Ballauff, M.; Pigaleva, M.: Redox-dependent structural and thermal stability of HMGB1: A thermodynamic analysis. Biophysical Chemistry 325, 107472 (2025)

Thum, L.; Marshall, C. P.; Waydbrink, G. v. d.; Stotz, E.; Skorupska, K.; Schlögl, R.: Gradient-Free Measurements of Catalyst Plates Using a Berty Reactor. Chemie-Ingenieur-Technik 97 (2025)

Horlebein, J.; Moon, E.; Szekeres, G. P.; Helden, G. v.; Österlund, N.; Pagel, K.: Gas-phase purification enables structural studies of amyloid intermediates. Trends in Chemistry 7 (6), S. 317 - 332 (2025)

Shiotari, A.; Nishida, J.; Hammud, A.; Schulz, F.; Wolf, M.; Kumagai, T.; Müller, M.: Scattering near-field optical microscopy at 1-nm resolution using ultralow tip oscillation amplitudes. Science Advances 11 (24), eadu1415 (2025)

Thürmer, S.; Stemer, D.; Trinter, F.; Kiyan, I. Y.; Winter, B.; Wilkinson, I.: Low-Energy Photoelectron Spectroscopy and Scattering from Aqueous Solutions and the Role of Solute Surface Activity. Journal of the American Chemical Society 147 (23), S. 19868 - 19877 (2025)

Polewski, L.; Dymnikova, D.; Malicka, W.; Lettow, M.; Helden, G. v.; Teutloff, C.; Ballauff, M.; Taupitz, M.; Bittl, R.; Pagel, K.: Glycan-Induced Transchelation of Gadolinium from Magnetic Resonance Imaging Contrast Agent-Complexes. Analytical Chemistry 97 (22), S. 11436 - 11442 (2025)

Ainsar, M.; Kooser, K.; Kodu, M.; Kelp, G.; Tamm, A.; Käämbre, T.; Möller, P.; Romann, T.; Hävecker, M.; Götsch, T. et al.; Nurk, G.: 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)

Kang, K.; Purcell, T.; Carbogno, C.; Scheffler, M.: Accelerating the training and improving the reliability of machine-learned interatomic potentials for strongly anharmonic materials through active learning. Physical Review Materials 9 (6), 063801 (2025)

Kremer, G.; Nicolaï, L.; Chassot, F.; Maklar, J.; Nicholson, C. W.; Dil, J. H.; Krempaský, J.; Springholz, G.; Ernstorfer, R.; Minár, J. et al.; Rettig, L.; Monney, C.: Conduction band structure and ultrafast dynamics of ferroelectric α-GeTe(111). Physical Review B 111 (23), 235109 (2025)

Caliebe, W. A.; Kalinko, A.; Viehweger, M.; Pfeffer, S.; Horbach, J.; Görlitz, M.; Peredkov, S.; Bergmann, A.; Timoshenko, J.: The New OperandoCat Beamline P63 at PETRA III. Journal of Physics: Conference Series 3010, 012168 (2025)

Götsch, T.; Jones, T. E.; Teschner, D.: Connecting the dots in a pH-dependent oxygen evolution reaction. Nature Chemistry 17, S. 791 - 792 (2025)

Hörmann, N.: Grand canonical view on electrochemical energetics at applied potential in a nutshell. Current Opinion in Electrochemistry 51, 101656 (2025)