Publikationen des Fritz-Haber-Instituts (2001-)
Zeitschriftenartikel (8351)
2024
Zeitschriftenartikel
M. Lopez Luna, F. Yang, A. Yoon, , , 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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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 towards Ammonia using Cu2O Nanocubes: Active Species and Reaction Mechanisms. Journal of the American Chemical Society, im Druck.
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Bi, S., C. Carbogno, 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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F. Schmidt, F. Girgsdies, , , , , , , , , R. Schlögl, T. Lunkenbein, und : Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia. Nature Communications 15 (1), 871 (2024).
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Eibenberger Arias, S.: Controlling the Internal States of Chiral Molecules. Bunsen-Magazin 2024 (1), 37–40 (2024).
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D. Cruz, , , , und : Microporous Sulfur-Carbon Materials with Extended Sodium Storage Window. Advanced Science 2024, 2310196 (2024).
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G. Carini, , G. Álvarez-Pérez, , , , S. Wasserroth, M. Wolf, , A. Paarmann und : Extreme light confinement and control in low-symmetry phonon-polaritonic crystals. Nature Reviews Materials 9, 9-28 (2024).
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Ghafari, A. und : Electronic band structure and thermoelectric properties of ternary SnSxSe2-x (x = 0,1,2). Materials Today Communications 38, 107483 (2024).
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S. Wengert, und : matscipy: materials science at the atomic scale with Python. The Journal of Open Source Software (JOSS) 9 (93), 5668 (2024).
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Haase, F., E. Ortega, , 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, , 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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Hermann, K.: Nanoparticles with cubic symmetry: classification of polyhedral shapes. Journal of Physics: Condensed Matter 36 (4), 045303 (2024).
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Hu, X., , M. Schneider, , 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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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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X. Liu und : Spectroscopic constants from atomic properties: a machine learning approach. Digital Discovery 3 (1), 34–50 (2024).
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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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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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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, im Druck.
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F. Trinter, , , , , , , , , , , , , , und : 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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Miyazaki, R., , , 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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H. Seiler, , und : 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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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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Nicholson, C.W., , , , , , , , und : Gap collapse and flat band induced by uniaxial strain in 1T−TaS2. Physical Review B 109 (3), 035167 (2024).
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A. Shiotari, , und : Sub-Tip-Radius Near-Field Interactions in Nano-FTIR Vibrational Spectroscopy on Single Proteins. Nano Letters, im Druck.
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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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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, , M. Rüscher, H. Jeon, D. Kordus, M. Lopez-Luna, S. Kühl, U. Hejral, E. Davis, S.W. Chee, J. Timoshenko, , 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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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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E. Padilla, , R. Thomas, S. Truppe, G. Meijer, 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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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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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, im Druck.
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M. Boniface, B. Roldan Cuenya, T. Lunkenbein, , , , und : Engineering ORR Electrocatalysts from Co8Pt4 Carbonyl Clusters via ZIF-8 Templating. ChemElectroChem 11 (5), e202300476 (2024).
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Tanda Bonkano, B., S. Palato, , S. Kovalenko, P. Schwendke, , , , und J. Stähler: Evidence for Hybrid Inorganic–Organic Transitions at the WS2/Terrylene Interface. Physica Status Solidi A 221 (1), 230034 (2024).
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Velasco Vélez, J., , R. Mom, P. Zeller, , B. Roldan Cuenya, A. Knop-Gericke, R. Schlögl und T. Jones: Iridium oxide coordinatively unsaturated active sites govern the electrocatalytic oxidation of water. Advanced Energy Materials, im Druck.
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H. Heenen, , und : Number of sites-based solver for determining coverages from steady-state mean-field micro-kinetic models. Journal of Computational Chemistry 45 (9), 546–551 (2024).
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M. Mirahmadi und : On the role of non-additive interactions in three-body recombination. Physical Chemistry Chemical Physics 26 (9), 7264–7268 (2024).
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G.S. Michelitsch, K. Reuter, , und : Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111). Advanced Materials Interfaces 11 (4), 2300774 (2024).
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J. Timoshenko, , , , , , , , , , , , B. Roldan Cuenya, und : Selective and energy-efficient electrosynthesis of ethylene from CO2 by tuning the valence of Cu catalysts through aryl diazonium functionalization. Nature Energy, im Druck.
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R. Farra, M.G. Willinger und : Structural and chemical transformations of CuZn alloy nanoparticles under reactive redox atmospheres: an in situ TEM study. Nano Research, im Druck.
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A. Hammud, , , T. Lunkenbein und : Correlative microscopy and monitoring of segregation processes in optoelectronic semiconductor materials and devices. Journal of Applied Physics 133 (12), 121101 (2023).
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L.C. Tanase, M. Prieto, L.de S. Caldas, A. Tiwari, , , , , T. Schmidt, und : Surface charge dynamics on air-exposed ferroelectric Pb(Zr,Ti)O3(001) thin films. Nanoscale 15 (31), 13062–13075 (2023).
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Akkoush, A., und M. Rossi: A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers. Physica Status Solidi A 2300180 (2023).
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B. Winter und : The Metal-Oxide Nanoparticle-Aqueous Solution Interface Studied by Liquid-Microjet Photoemission. Accounts of Chemical Research 56 (13), 1687–1697 (2023).
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K. Pagel, und : Papain-Based Solubilization of Decellularized Extracellular Matrix for the Preparation of Bioactive, Thermosensitive Pregels. Biomacromolecules 24 (12), 5620–5637 (2023).
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A. Herzog, , A. Bergmann, B. Roldan Cuenya und : Atomic-scale surface restructuring of copper electrodes under CO2 electroreduction conditions. Nature Catalysis 6 (9), 837–846 (2023).
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B. Alkan, , , , , und : Spray-Flame Synthesis of LaFexCo1-xO3 (x = 0.2, 0.3) Perovskite Nanoparticles for Oxygen Evolution Reaction in Water Splitting: Effect of Precursor Chemistry (Acetates and Nitrates). The Journal of Physical Chemistry A 127 (11), 2564–2576 (2023).
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Anníes, S., C. Scheurer und C. Panosetti: The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 444, 141966 (2023).
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Antonyshyn, I., , , , , , , , und : Al-Pt intermetallic compounds: HAXPES study. Physical Chemistry Chemical Physics 25 (45), 31137–31145 (2023).