Suchergebnisse

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), S. 1448 - 1464 (2024)

Ding, Y.; Liu, Y.; Klyushin, A.; Zhang, L.; Han, G.; Liu, Z.; Li, J.; Zhang, B.; Gao, K.; Li, W. et al.; Eichel, R.-A.; Sun, X.; Qiao, Z.-A.; Heumann, S.: Ultrathin Two-dimensional Layered Composite Carbosilicates from in situ Unzipped Carbon Nanotubes and Exfoliated Bulk Silica. Angewandte Chemie International Edition 63 (7), e202318043 (2024)

Schmidt, F.; Götsch, T.; Najafishirtari, S.; Behrens, M.; Pratsch, C.; Kenmoe, S.; Douma, D. H.; Girgsdies, F.; Allan, J.; Knop-Gericke, A. et al.; Lunkenbein, T.: Subnanometer Tracking of the Oxidation State on Co₃O₄ Nanoparticles by Identical Location Imaging and Spectroscopy. ACS Applied Materials & Interfaces 17 (6), S. 9419 - 9430 (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), S. 644 - 652 (2024)

Wu, H.; Huang, L.; Timoshenko, J.; Qi, K.; Wang, W.; Liu, J.; Zhang, Y.; Yang, S.; Petit, E.; Flaud, V. et al.; Li, J.; Salameh, C.; Miele, P.; Lajaunie, L.; Roldan Cuenya, B.; Rao, D.; Voiry, D.: Selective and energy-efficient electrosynthesis of ethylene from CO₂ by tuning the valence of Cu catalysts through aryl diazonium functionalization. Nature Energy 9, S. 422 - 433 (2024)

Erdem, E.; Tarasov, A.; Kube, P.; Koch, G.; Plodinec, M.; Lunkenbein, T.; Carey, S.; Wang, Y.; Hävecker, M.; Rosowski, F. et al.; Schlögl, R.; Trunschke, A.: The Influence of Melting on Catalysis in Propane Oxidation. ChemCatChem 16 (3), e202301242 (2024)

Carbonio, E.; Sulzmann, F.; Teschner, D.; Velasco Vélez, J.; Hävecker, M.; Knop-Gericke, A.; Schlögl, R.; Jones, T.: Thermal synthesis of electron deficient oxygen species on crystalline IrO₂. Catalysis Science & Technology 14 (3), S. 572 - 580 (2024)

Peng, Y.; Zhan, C.; Jeon, H.; Frandsen, W.; Roldan Cuenya, B.; Kley, C.: Organic Thin Films Enable Retaining the Oxidation State of Copper Catalysts during CO₂ Electroreduction. ACS Applied Materials and Interfaces 16 (5), S. 6562 - 6568 (2024)

Weiss, T.; Baklanov, A.; Michelitsch, G. S.; Reuter, K.; Schwarz, M.; Garnica, M.; Auwärter, W.: Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111). Advanced Materials Interfaces 11 (4), 2300774 (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)

Sandoval Diaz, L.; Cruz, D.; Vuijk, M.; Ducci, G.; Hävecker, M.; Jiang, W.; Plodinec, M.; Hammud, A.; Ivanov, D.; Götsch, T. et al.; Reuter, K.; Schlögl, R.; Scheurer, C.; Knop-Gericke, A.; Lunkenbein, T.: Metastable nickel-oxygen species modulate rate oscillations during dry reforming of methane. Nature Catalysis 7, S. 161 - 171 (2024)

Spencer, M. S.; Urban, J.; Frenzel, M.; Müller, N. S.; Minakova, O.; Wolf, M.; Paarmann, A.; Maehrlein, S. F.: Electro-optic cavities for in-situ measurement of cavity fields. Light: Science & Applications 14, 69 (2024)

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

Grigorev, P.; Frérot, L.; Birks, F.; Gola, A.; Golebiowski, J.; Grießer, J.; Hörmann, J. L.; Klemenz, A.; Moras, G.; Nöhring, W. G. et al.; Oldenstaedt, J. A.; Patel, P.; Reichenbach, T.; Shenoy, L.; Walter, M.; Wengert, S.; Kermode, J. R.; Pastewka, L.: matscipy: materials science at the atomic scale with Python. The Journal of Open Source Software (JOSS) 9 (93), 5668 (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)

Bi, S.; Carbogno, C.; Zhang, I. Y.; Scheffler, M.: Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework. The Journal of Chemical Physics 160 (3), 034106 (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), S. 4766 - 4766 (2024)

Röser, D.; Padilla, E.; Ohayon, B.; Thomas, R.; Truppe, S.; Meijer, G.; Stellmer, S.; Wright, S.: Hyperfine structure and isotope shifts of the (4s²)¹S₀→(4s4p)¹P₁ transition in atomic zinc. Physical Review A 109 (1), 012806 (2024)

Tanda Bonkano, B.; Palato, S.; Krumland, J.; Kovalenko, S.; Schwendke, P.; Guerrini, M.; Li, Q.; Zhu, X.; Cocchi, C.; Stähler, J.: Evidence for Hybrid Inorganic–Organic Transitions at the WS₂/Terrylene Interface. Physica Status Solidi A 221 (1), 230034 (2024)

Nishida, J.; Otomo, A.; Koitaya, T.; Shiotari, A.; Minato, T.; Iino, R.; Kumagai, T.: Sub-Tip-Radius Near-Field Interactions in Nano-FTIR Vibrational Spectroscopy on Single Proteins. Nano Letters (2024)