Hermann, K.: Nanoparticles with cubic symmetry: classification of polyhedral shapes. Journal of Physics: Condensed Matter 36 (4), 045303 (2024)

Herzog, A.; Lopez-Luna, M.; Jeon, H.; Rettenmaier, C.; Grosse, P.; Bergmann, A.; Roldan Cuenya, B.: Operando Raman Spectroscopy Uncovers the Role of Hydroxide and CO Species for an Enhanced Ethanol Selectivity during Pulsed CO₂ Electroreduction. Nature Communications (accepted)

Hörmann, N.; Beinlich, S.; Reuter, K.: Converging Divergent Paths: Constant Charge vs Constant Potential Energetics in Computational Electrochemistry. The Journal of Physical Chemistry C 128 (13), pp. 5524 - 5531 (2024)

Hu, X.; Amin, K. S.; Schneider, M.; Lim, C.; Salahub, D.; Baldauf, C.: System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields. Journal of Chemical Theory and Computation 20 (3), pp. 1448 - 1464 (2024)

Hübner, J.; Lucchetti, L.; Nong, H. N.; Paul, B.; Kroschel, M.; Kang, J.; Teschner, D.; Behrens, S.; Studt, F.; Knop-Gericke, A. et al.; Siahrostami, S.; Strasser, P.: Cation Effects on the Acidic Oxygen Reduction Reaction at Carbon Surfaces. ACS Energy Letters 9, pp. 1331 - 1338 (2024)

Hursán, D.; Timoshenko, J.; Ortega, E.; Jeon, H.; Rüscher, M.; Herzog, A.; Rettenmaier, C.; Chee, S. W.; Martini, A.; Koshy, D. et al.; Roldan Cuenya, B.: Reversible Structural Evolution of Metal-Nitrogen-Doped Carbon Catalysts During CO₂ Electroreduction: An Operando X-ray Absorption Spectroscopy Study. Advanced Materials 36 (4), 2307809 (2024)

Ibrahim, M. A. E.; Liu, X.; Pérez-Ríos, J.: Spectroscopic constants from atomic properties: a machine learning approach. Digital Discovery 3 (1), pp. 34 - 50 (2024)

Kießling, R.; Wolf, M.; Paarmann, A.: Spectral narrowing of a phonon resonance in time-domain sum-frequency spectroscopy. Physical Review Research 6 (1), 013066 (2024)

Klokishner, S.; Melsheimer, J.; Jentoft, F. C.; Schlögl, R.: Correction: Optical bands of dodecanuclear compounds H₄PVMo₁₁O₄₀∙yH₂O with Keggin structure. Semiclassical vibronic model. Physical Chemistry Chemical Physics 26 (5), p. 4766 - 4766 (2024)

Kordus, D.; Widrinna, S.; Timoshenko, J.; Lopez-Luna, M.; Rettenmaier, C.; Chee, S. W.; Ortega, E.; Karslıoğlu, O.; Kühl, S.; Roldan Cuenya, B.: Enhanced Methanol Synthesis from CO₂ Hydrogenation Achieved by Tuning the Cu-ZnO Interaction in ZnO/Cu₂O Nanocube Catalysts Supported on ZrO₂ and SiO₂. Journal of the American Chemical Society 146 (12), pp. 8677 - 8687 (2024)

Kuraoka, T.; Goto, S.; Kanno, M.; Díaz-Tendero, S.; Reino-González, J.; Trinter, F.; Pier, A.; Sommerlad, L.; Melzer, N.; McGinnis, O. D. et al.; Kruse, J.; Wenzel, T.; Jahnke, T.; Xue, H.; Kishimoto, N.; Yoshikawa, K.; Tamura, Y.; Ota, F.; Hatada, K.; Ueda, K.; Martín, F.: Tracing Photoinduced Hydrogen Migration in Alcohol Dications from Time-Resolved Molecular-Frame Photoelectron Angular Distributions. The Journal of Physical Chemistry A 128 (7), pp. 1241 - 1249 (2024)

Lee, J. H.; Bischoff, J.; Hernandez-Castillo, A. O.; Abdiha, E.; Sartakov, B. G.; Meijer, G.; Eibenberger, S.: The influence of microwave pulse conditions on enantiomer-specific state transfer. New Journal of Physics 26 (3), 033015 (2024)

Miyazaki, R.; Belthle, K. S.; Tüysüz, H.; Foppa, L.; Scheffler, M.: Materials Genes of CO₂ Hydrogenation on Supported Cobalt Catalysts: An Artificial Intelligence Approach Integrating Theoretical and Experimental Data. Journal of the American Chemical Society 146 (8), pp. 5433 - 5444 (2024)

Mohseni, M.; Sarsari, I. A.; Karbasizadeh, S.; Udvarhelyi, P.; Hassanzada, Q.; Ala-Nissila, T.; Gali, A.: Vacancy-related color centers in two-dimensional silicon carbide monolayers. Physical Review Materials (accepted)

Müller, J.; Heyl, M.; Schultz, T.; Elsner, K.; Schloz, M.; Rühl, S.; Seiler, H.; Koch, N.; List-Kratochvil, E. J.W.; Koch, C. T.: Probing crystallinity and grain structure of 2D materials and 2D-like van der Waals heterostructures by low-voltage electron diffraction. Physica Status Solidi A 221 (1), 2300148 (2024)

Müller, M.: Imaging surfaces at the space-time limit: New perspectives of time-resolved scanning tunneling microscopy for ultrafast surface science. Progress in Surface Science 99 (1), 100727 (2024)

Murphy, E.; Sun, B.; Rüscher, M.; Liu, Y.; Zang, W.; Guo, S.; Hejral, U.; Huang, Y.; Ly, A.; Zenyuk, I. V. et al.; Pan, X.; Timoshenko, J.; Roldan Cuenya, B.; Spoerke, E. D.; Atanassov, P.: Synergizing Fe₂O₃ nanoparticles on single atom Fe-N-C for nitrate reduction to ammonia at industrial current densities. Advanced Materials (accepted)

Nemirovich, T.; Young, B.; Brezina, K.; Mason, P. E.; Seidel, R.; Stemer, D.; Winter, B.; Jungwirth, P.; Bradforth, S. E.; Schewe, H. C.: Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction. Journal of the American Chemical Society 146 (12), pp. 8043 - 8057 (2024)

Nguyen, K.-L. C.; Bruce, J. P.; Yoon, A.; Navarro, J. J.; Scholten, F.; Landwehr, F.; Rettenmaier, C.; Heyde, M.; Roldan Cuenya, B.: The Influence of Mesoscopic Surface Structure on the Electrocatalytic Selectivity of CO₂ Reduction with UHV-Prepared Cu(111) Single Crystals. ACS Energy Letters 9 (2), pp. 644 - 652 (2024)

Nicholson, C. W.; Petocchi, F.; Salzmann, B.; Witteveen, C.; Rumo, M.; Kremer, G.; Ivashko, O.; von Rohr, F. O.; Werner, P.; Monney, C.: Gap collapse and flat band induced by uniaxial strain in 1T−TaS₂. Physical Review B 109 (3), 035167 (2024)