Publikationen des Fritz-Haber-Instituts (2001-)

Zeitschriftenartikel

Avila-Bolivar, B., M. Lopez Luna, F. Yang, A. Yoon, V. Montiel, J. Solla-Gullón, S.W. Chee und B. Roldan Cuenya: Revealing the Intrinsic Restructuring of Bi₂O₃ Nanoparticles into Bi Nanosheets during Electrochemical CO₂ Reduction. ACS Applied Materials and Interfaces 16 (9), 11552–11560 (2024).

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Zeitschriftenartikel

Bai, L., F. Franco, J. Timoshenko, C. Rettenmaier, F. Scholten, H. Jeon, A. Yoon, M. Rüscher, A. Herzog, F. Haase, S. Kühl, S.W. Chee, A. Bergmann und B. Roldan Cuenya: Electrocatalytic Nitrate and Nitrite Reduction toward Ammonia using Cu₂O Nanocubes: Active Species and Reaction Mechanisms. Journal of the American Chemical Society 146 (14), 9665–9678 (2024).

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Zeitschriftenartikel

Bechtella, L., J. Chunsheng, K. Fentker, G.R. Ertürk, M. Safferthal, L. Polewski, M. Götze, S.Y. Graeber, G.M. Vos, W.B. Struwe, M.A. Mall, P. Mertins, N.G. Karlsson und K. Pagel: Ion mobility-tandem mass spectrometry of mucin-type O-glycans. Nature Communications 15, 2611 (2024).

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Zeitschriftenartikel

Bi, S., C. Carbogno, I.Y. Zhang und M. Scheffler: 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).

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Zeitschriftenartikel

Caldas, L.de S., M. Prieto, L.C. Tanase, A. Tiwari, T. Schmidt und B. Roldan Cuenya: Correlative in situ Spectro-microscopy of Supported Single CuO Nanoparticles: Unveiling the Relationships between Morphology and Chemical State during Thermal Reduction. ACS Nano, im Druck.

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Chen, S., J. Jelic, D. Rein, S. Najafishirtari, F. Schmidt, F. Girgsdies, L. Kang, A. Wandzilak, A. Rabe, D.E. Doronkin, J. Wang, K.F. Ortega, S. DeBeer, J.-D. Grunwaldt, R. Schlögl, T. Lunkenbein, F. Studt und M. Behrens: Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia. Nature Communications 15, 871 (2024).

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Zeitschriftenartikel

Demir, S., A. Tekin, Y.-T. Chan, C. Scheurer, K. Reuter, A.C. Luntz und J. Voss: Factors Affecting the Electron Conductivity in Single Crystal Li₇La₃Zr₂O₁₂ and Li₇P₃S₁₁. ACS Applied Energy Materials 7 (6), 2392–2404 (2024).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Eibenberger Arias, S.: Controlling the Internal States of Chiral Molecules. Bunsen-Magazin 2024 (1), 37–40 (2024).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Eren, E.O., C. Esen, E. Scoppola, Z. Song, E. Senokos, H. Zschiesche, D. Cruz, I. Lauermann, N.V. Tarakina, B. Kumru, M. Antonietti und P. Giusto: Microporous Sulfur-Carbon Materials with Extended Sodium Storage Window. Advanced Science 2024, 2310196 (2024).

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Zeitschriftenartikel

Frenzel, M., J. Urban, L. Nest, T. Kampfrath, M.S. Spencer und S.F. Maehrlein: Quartz as an accurate high-field low-cost THz helicity detector. Optica 11 (3), 362–370 (2024).

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Zeitschriftenartikel

Galiffi, E., G. Carini, X. Ni, G. Álvarez-Pérez, S. Yves, E.M. Renzi, R. Nolen, S. Wasserroth, M. Wolf, P. Alonso-Gonzales, A. Paarmann und A. Alù: Extreme light confinement and control in low-symmetry phonon-polaritonic crystals. Nature Reviews Materials 9, 9-28 (2024).

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Zeitschriftenartikel

Ghafari, A. und C. Janowitz: Electronic band structure and thermoelectric properties of ternary SnS_xSe_2-x (x = 0,1,2). Materials Today Communications 38, 107483 (2024).

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Zeitschriftenartikel

Grigorev, P., L. Frérot, F. Birks, A. Gola, J. Golebiowski, J. Grießer, J.L. Hörmann, A. Klemenz, G. Moras, W.G. Nöhring, J.A. Oldenstaedt, P. Patel, T. Reichenbach, L. Shenoy, M. Walter, S. Wengert, J.R. Kermode und L. Pastewka: matscipy: materials science at the atomic scale with Python. The Journal of Open Source Software (JOSS) 9 (93), 5668 (2024).

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Zeitschriftenartikel

Gückstock, O., N. Stojanovic, Y.K. Ha, T. Hagelschuer, A. Denker, G. Kourkafas, T. Seifert, T. Kampfrath und M. Gensch: Radiation hardness of ultrabroadband spintronic terahertz emitters: en-route to a space-qualified terahertz time-domain gas spectrometer. Applied Physics Letters 124 (14), 141103 (2024).

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Zeitschriftenartikel

Haase, F., E. Ortega, S. Saddeler, F. Schmidt, D. Cruz, F. Scholten, M. Rüscher, A. Martini, H. Jeon, A. Herzog, U. Hejral, E. Davis, J. Timoshenko, A. Knop-Gericke, T. Lunkenbein, S. Schulz, A. Bergmann und B. Roldan Cuenya: Role of Fe Decoration on the Oxygen Evolving State of Co₃O₄ Nanocatalysts. Energy & Environmental Science 17 (5), 2046–2058 (2024).

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Zeitschriftenartikel

Hannappel, T., S. Shekarabi, W. Jaegermann, E. Runge, J.P. Hofmann, R. van de Krol, M.M. May, A. Bergmann, A. Bund, C. Cierpka, C. Dreßler, F. Dionigi, D. Friedrich, M. Favaro, F. Hess, S. Krischok, M. Kurniawan, K. Lüdge, Y. Lei, A. Paszuk, B. Roldan Cuenya, P. Schaaf, R. Schmidt-Grund, W.G. Schmidt, P. Strasser, E. Unger, M. Vasquez Montoya, D. Wang und H. Zhang: Integration of multi-junction absorbers and catalysts for efficient solar-driven artificial leaf structures: a physical and materials science perspective. Solar RRL, im Druck.

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Hursán, D., J. Timoshenko, E. Ortega, H. Jeon, M. Rüscher, A. Herzog, C. Rettenmaier, S.W. Chee, A. Martini, D. Koshy und B. Roldan Cuenya: 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).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Kordus, D., S. Widrinna, J. Timoshenko, M. Lopez-Luna, C. Rettenmaier, S.W. Chee, E. Ortega, O. Karslıoğlu, S. Kühl und B. Roldan Cuenya: 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), 8677–8687 (2024).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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research-data

Zeitschriftenartikel

Miyazaki, R., K.S. Belthle, H. Tüysüz, L. Foppa und M. Scheffler: 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), 5433–5444 (2024).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Müller, J., M. Heyl, T. Schultz, K. Elsner, M. Schloz, S. Rühl, H. Seiler, N. Koch, E.J.W. List-Kratochvil und C.T. Koch: 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).

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Zeitschriftenartikel

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).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Nguyen, K.-L.C., J.P. Bruce, A. Yoon, J.J. Navarro, F. Scholten, F. Landwehr, C. Rettenmaier, M. Heyde und B. Roldan Cuenya: 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), 644–652 (2024).

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Raschke, M.B., M. Schubert, P. Narang und A. Paarmann: Publisher's Note: “Optical nanoprobe imaging and spectroscopy” [Appl. Phys. Lett. 123, 230401 (2023)]. Applied Physics Letters 124 (1), 019901 (2024).

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Zeitschriftenartikel

Rettenmaier, C., A. Herzog, D. Casari, M. Rüscher, H. Jeon, D. Kordus, M. Lopez-Luna, S. Kühl, U. Hejral, E. Davis, S.W. Chee, J. Timoshenko, D.T.L. Alexander, A. Bergmann und B. Roldan Cuenya: Operando insights into correlating CO coverage and Cu-Au alloying with the selectivity of Au NP-decorated Cu₂O nanocubes during the electrocatalytic CO₂ reduction. EES Catalysis 2 (1), 311–323 (2024).

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Zeitschriftenartikel

Rodellar, C.G., J.M. Gisbert Gonzalez, F.J. Sarabia, B. Roldan Cuenya und S. Oener: Ion solvation kinetics in bipolar membranes and at electrolyte–metal interfaces. Nature Energy, im Druck.

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Safferthal, M., L. Bechtella, A. Zappe, G.M. Vos und K. Pagel: Labeling of Mucin-Type O-Glycans for Quantification Using Liquid Chromatography and Fluorescence Detection. ACS Measurement Science Au, im Druck.

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Zeitschriftenartikel

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

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Zeitschriftenartikel

Schintke, F., K. Belhajjame, N.D. Mecquenem, D. Frantz, V.E. Guarino, M. Hilbrich, F. Lehmann, P. Missier, R. Sattler, J.A. Sparka, D. Speckhard, H. Stolte, A.D. Vu und U. Leser: Validity constraints for data analysis workflows. Future Generation Computer Systems 157, 82–97 (2024).

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Zeitschriftenartikel

Schmahl, S., F. Horn, J. Jin, H. Westphal, D. Belder und K.R. Asmis: Online-Monitoring of the Enantiomeric Ratio in Microfluidic Chip Reactors Using Chiral Selector Ion Vibrational Spectroscopy. ChemPhysChem, im Druck.

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