Wissenschaftliche Publikationen

Zeitschriftenartikel (8115)

1.
Zeitschriftenartikel
Akkoush, A.; Litman, Y.; Rossi, M.: A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers. Physica Status Solidi A 221 (1), 2300180 (2024)
2.
Zeitschriftenartikel
Avila-Bolivar, B.; Lopez Luna, M.; Yang, F.; Yoon, A.; Montiel, V.; Solla-Gullón, J.; Chee, S. W.; Roldan Cuenya, B.: Revealing the Intrinsic Restructuring of Bi2O3 Nanoparticles into Bi Nanosheets during Electrochemical CO2 Reduction. ACS Applied Materials and Interfaces 16 (9), S. 11552 - 11560 (2024)
3.
Zeitschriftenartikel
Bai, L.; Franco, F.; Timoshenko, J.; Rettenmaier, C.; Scholten, F.; Jeon, H.; Yoon, A.; Rüscher, M.; Herzog, A.; Haase, F. et al.; Kühl, S.; Chee, S. W.; Bergmann, A.; Roldan Cuenya, B.: Electrocatalytic Nitrate and Nitrite Reduction towards Ammonia using Cu2O Nanocubes: Active Species and Reaction Mechanisms. Journal of the American Chemical Society (angenommen)
4.
Zeitschriftenartikel
Bechtella, L.; Chunsheng, J.; Fentker, K.; Ertürk, G. R.; Safferthal, M.; Polewski, L.; Götze, M.; Graeber, S. Y.; Vos, G. M.; Struwe, W. B. et al.; Mall, M. A.; Mertins, P.; Karlsson, N. G.; Pagel, K.: Ion mobility-tandem mass spectrometry of mucin-type O-glycans. Nature Communications 15, 2611 (2024)
5.
Zeitschriftenartikel
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)
6.
Zeitschriftenartikel
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)
7.
Zeitschriftenartikel
Chen, S.; Jelic, J.; Rein, D.; Najafishirtari, S.; Schmidt, F.; Girgsdies, F.; Kang, L.; Wandzilak, A.; Rabe, A.; Doronkin, D. E. et al.; Wang, J.; Ortega, K. F.; DeBeer, S.; Grunwaldt, J.-D.; Schlögl, R.; Lunkenbein, T.; Studt, F.; Behrens, M.: Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia. Nature Communications 15, 871 (2024)
8.
Zeitschriftenartikel
Demir, S.; Tekin, A.; Chan, Y.-T.; Scheurer, C.; Reuter, K.; Luntz, A. C.; Voss, J.: Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11. ACS Applied Energy Materials 7 (6), S. 2392 - 2404 (2024)
9.
Zeitschriftenartikel
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)
10.
Zeitschriftenartikel
Eibenberger Arias, S.: Controlling the Internal States of Chiral Molecules. Bunsen-Magazin 2024 (1), S. 37 - 40 (2024)
11.
Zeitschriftenartikel
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)
12.
Zeitschriftenartikel
Eren, E. O.; Esen, C.; Scoppola, E.; Song, Z.; Senokos, E.; Zschiesche, H.; Cruz, D.; Lauermann, I.; Tarakina, N. V.; Kumru, B. et al.; Antonietti, M.; Giusto, P.: Microporous Sulfur-Carbon Materials with Extended Sodium Storage Window. Advanced Science 2024, 2310196 (2024)
13.
Zeitschriftenartikel
Galiffi, E.; Carini, G.; Ni, X.; Álvarez-Pérez, G.; Yves, S.; Renzi, E. M.; Nolen, R.; Wasserroth, S.; Wolf, M.; Alonso-Gonzales, P. et al.; Paarmann, A.; Alù, A.: Extreme light confinement and control in low-symmetry phonon-polaritonic crystals. Nature Reviews Materials 9, 9-28 (2024)
14.
Zeitschriftenartikel
Ghafari, A.; Janowitz, C.: Electronic band structure and thermoelectric properties of ternary SnSxSe2-x (x = 0,1,2). Materials Today Communications 38, 107483 (2024)
15.
Zeitschriftenartikel
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)
16.
Zeitschriftenartikel
Haase, F.; Ortega, E.; Saddeler, S.; Schmidt, F.; Cruz, D.; Scholten, F.; Rüscher, M.; Martini, A.; Jeon, H.; Herzog, A. et al.; Hejral, U.; Davis, E.; Timoshenko, J.; Knop-Gericke, A.; Lunkenbein, T.; Schulz, S.; Bergmann, A.; Roldan Cuenya, B.: Role of Fe Decoration on the Oxygen Evolving State of Co3O4 Nanocatalysts. Energy & Environmental Science 17 (5), S. 2046 - 2058 (2024)
17.
Zeitschriftenartikel
Hermann, K.: Nanoparticles with cubic symmetry: classification of polyhedral shapes. Journal of Physics: Condensed Matter 36 (4), 045303 (2024)
18.
Zeitschriftenartikel
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)
19.
Zeitschriftenartikel
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)
20.
Zeitschriftenartikel
Ibrahim, M. A. E.; Liu, X.; Pérez-Ríos, J.: Spectroscopic constants from atomic properties: a machine learning approach. Digital Discovery 3 (1), S. 34 - 50 (2024)
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