Publications by the Fritz Haber Institute (2001-)
Journal Article (6036)
2021
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and B. Friedrich: Creating Much Out of Nothing: The Relationship between Fritz Haber and Chaim Weizmann. The Israel Chemist and Chemical Engineer (7), 22–29 (2021).
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, B. Winter, and : Insight into the X‐ray absorption spectra of Cu‐porphyrazines from electronic structure theory. International Journal of Quantum Chemistry 121 (3), e26515 (2021).
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Chee, S.W., T. Lunkenbein, R. Schlögl and B. Roldan Cuenya: In situ and operando electron microscopy in heterogeneous catalysis – insights into multi-scale chemical dynamics. Journal of Physics: Condensed Matter, in press.
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and J. Pérez-Ríos: Predicting second virial coefficients of organic and inorganic compounds using Gaussian process regression. Physical Chemistry Chemical Physics 23 (4), 2891–2898 (2021).
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, , , , , S. Schaller, , , , , W. Schöllkopf, A. Fielicke and : Infrared action spectroscopy of nitrous oxide on cationic gold and cobalt clusters. Physical Chemistry Chemical Physics 23 (1), 329–338 (2021).
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Doppelbauer, M., N. Walter, S. Hofsäss, S. Marx, H.C. Schewe, S. Kray, J. Pérez-Ríos, , S. Truppe and G. Meijer: Characterisation of the b3Σ+ state and its interaction with the A1Π state in aluminium monofluoride. Molecular Physics 119 (1-2), e1810351 (2021).
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Dupuy, R., C. Richter, B. Winter, G. Meijer, R. Schlögl and H. Bluhm: Core level photoelectron spectroscopy of heterogeneous reactions at liquid–vapor interfaces: Current status, challenges, and prospects. The Journal of Chemical Physics 154 (6), 060901 (2021).
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, , F. Trinter, , , , and : Closed-loop recycling of rare liquid samples for gas-phase experiments. Review of Scientific Instruments 92 (2), 023205 (2021).
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Fidanyan, K., and M. Rossi: Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111). Advanced Theory and Simulations 2000241 (2021).
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Friedrich, B.: A paramount problem solved at last: Paramagnetic catalysis of ortho-para hydrogen conversion. Natural Sciences e10004 (2021).
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Gierster, L., S.P.K. Vempati and J. Stähler: Ultrafast generation and decay of a surface metal. Nature Communications 12, 978 (2021).
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Gückstock, O., L. Nadvornik, , T. Seifert, G. Bierhance, S.M. Rouzegar, M. Wolf, , , , , , , and T. Kampfrath: Terahertz Spin‐to‐Charge Conversion by Interfacial Skew Scattering in Metallic Bilayers. Advanced Materials 2006281 (2021).
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Hernandez-Castillo, A.O., J. Bischoff, J.H. Lee, J. Langenhan, M. Karra, G. Meijer and S. Eibenberger: High-resolution UV spectroscopy of 1-Indanol. Physical Chemistry Chemical Physics, in press.
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Herzog, A., A. Bergmann, H. Jeon, J. Timoshenko, S. Kühl, C. Rettenmaier, M. Lopez-Luna, F. Haase and B. Roldan Cuenya: Operando Investigation of Ag‐decorated Cu2O Nanocube Catalysts with enhanced CO2 Electroreduction toward Liquid Products. Angewandte Chemie International Edition, in press.
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Herzog, A., A. Bergmann, H. Jeon, J. Timoshenko, S. Kühl, C. Rettenmaier, M. Lopez-Luna, F. Haase and B. Roldan Cuenya: Operando‐Untersuchung von Ag‐dekorierten Cu2O‐Nanowürfel‐Katalysatoren mit verbesserter CO2‐Elektroreduktion zu Flüssigprodukten. Angewandte Chemie, in press.
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, , , , , , , , , M. Zürch, , and : Polarization Dependent Excitation and High Harmonic Generation from Intense Mid-IR Laser Pulses in ZnO. Nanomaterials 11 (1), 4 (2021).
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, J.H. Lee, , , , W. Schöllkopf and : Experimental test of Babinet’s Principle in matter-wave diffraction. Physical Chemistry Chemical Physics, in press.
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Kirschbaum, C., K. Greis, E. Mucha, , , , S. Gewinner, W. Schöllkopf, G.von Helden, G. Meijer, , , and K. Pagel: Unravelling the structural complexity of glycolipids with cryogenic infrared spectroscopy. Nature Communications 12, 1201 (2021).
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, , , , E. Wolf, , , , D. Teschner, R. Schlögl and : Modular Design of Highly Active Unitized Reversible Fuel Cell Electrocatalysts. ACS Energy Letters 6 (1), 177–183 (2021).
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, , , , , , , , , , B. Roldan Cuenya, , and : Comparison of Thermal Annealing vs Hydrothermal Treatment Effects on the Detection Performances of ZnO Nanowires. ACS Applied Materials and Interfaces, in press.
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Maksimov, D., C. Baldauf and M. Rossi: The conformational space of a flexible amino acid at metallic surfaces. International Journal of Quantum Chemistry 121 (3), e26369 (2021).
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and K. Reuter: Pure non-local machine-learned density functional theory for electron correlation. Nature Communications 12, 344 (2021).
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, , , , , , , K. Dembélé and T. Lunkenbein: Synergy between Metallic and Oxidized Pt Sites Unravelled during Room Temperature CO Oxidation on Pt/Ceria. Angewandte Chemie International Edition 60 (7), 3799–3805 (2021).
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Mirahmadi, M. and J. Pérez-Ríos: On the formation of van der Waals complexes through three-body recombination. The Journal of Chemical Physics 154 (3), 034205 (2021).
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, , , , , , and M. Scheffler: All-electron periodic G0W0 implementation with numerical atomic orbital basis functions: Algorithm and benchmarks. Physical Review Materials 5 (1), 013807 (2021).
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Rizo, R., A. Bergmann, J. Timoshenko, F. Scholten, C. Rettenmaier, H. Jeon, , A. Yoon, , and B. Roldan Cuenya: Pt-Sn-Co nanocubes as highly active catalysts for ethanol electro-oxidation. Journal of Catalysis 393, 247–258 (2021).
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, , , , , H. Bluhm, , , , , and : Identifying Ionic and Electronic Charge Transfer at Oxide Heterointerfaces. Advanced Materials 33 (4), 2004132 (2021).
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, , , , , H. Bluhm, , , , , and : Cover Picture: Charge Transfer: Identifying Ionic and Electronic Charge Transfer at Oxide Heterointerfaces (Adv. Mater. 4/2021). Advanced Materials 33 (4), 2170022 (2021).
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and B. Friedrich: Nachruf: Rudolf Zahradník (1928 – 2020). Nachrichten aus der Chemie 69 (1), 94–94 (2021).
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Simon, G.H., C. Kley and B. Roldan Cuenya: Potential‐Dependent Morphology of Copper Catalysts During CO2 Electroreduction Revealed by In Situ Atomic Force Microscopy. Angewandte Chemie International Edition 60 (5), 2561–2568 (2021).
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Simon, G.H., C. Kley and B. Roldan Cuenya: Potentialabhängige Morphologie von Kupferkatalysatoren während der Elektroreduktion von CO2, ermittelt durch In‐situ‐Rasterkraftmikroskopie. Angewandte Chemie 133 (5), 2591–2599 (2021).
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, L. Falling, , , , S. Kühl, , , T. Jones, and : Molecular Analysis of the Unusual Stability of an IrNbOx Catalyst for the Electrochemical Water Oxidation to Molecular Oxygen (OER). ACS Applied Materials and Interfaces 13 (3), 3748–3761 (2021).
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Timoshenko, J. and B. Roldan Cuenya: In Situ/Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy. Chemical Reviews 121 (2), 882–961 (2021).
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, , , , , A. Trunschke, R. Schlögl, and : Combinatorial optimization and synthesis of multiple promoted MoVNbTe catalysts for oxidation of propane to acrylic acid. Catalysis Today 363, 45–54 (2021).
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, , , , , , , B. Roldan Cuenya and : Three-way Catalysis with bimetallic supported Pd-Au catalysts: Gold as a poison and as a promotor. Applied Catalysis B 282, 119614 (2021).
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, , , A. Fielicke and : Argon tagging of doubly transition metal doped aluminum clusters: The importance of electronic shielding. The Journal of Chemical Physics 154 (5), 054312 (2021).
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, W. Jang, , , , , , , , , , , , , and : Hydrogen-doped viscoplastic liquid metal microparticles for stretchable printed metal lines. Nature Materials, in press.
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Velasco Vélez, J., L. Falling, , , , , E. Stotz, M. Hävecker, , A. Knop-Gericke, , , and : A comparative study of electrochemical cells for in situ X-ray spectroscopies in the soft and tender X-ray range. Journal of Physics D: Applied Physics 54 (12), 124003 (2021).
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, , , , , , , , A. Knop-Gericke, and : Impact of ordering on the reactivity of mixed crystals of topological insulators with anion substitution: Bi2SeTe2 and Sb2SeTe2. Applied Surface Science 541, 148490 (2021).
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, , , , Y. Li and : The sequential activation of H2 and N2 mediated by the gas-phase Sc3N+ clusters: Formation of amido unit. The Journal of Chemical Physics 154 (5), 054307 (2021).
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, , B. Roldan Cuenya and : Introduction: Advanced Materials and Methods for Catalysis and Electrocatalysis by Transition Metals. Chemical Reviews 121 (2), 563–566 (2021).
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, and K. Reuter: Data-Driven Descriptor Engineering and Refined Scaling Relations for Predicting Transition Metal Oxide Reactivity. ACS Catalysis 11 (2), 734–742 (2021).
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, , , , Z. Li and : Potential hazards of novel waste-derived sorbents for efficient removal of mercury from coal combustion flue gas. Journal of Hazardous Materials 412, 125226 (2021).
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, L. Nadvornik, O. Gückstock, , T. Kampfrath and : Ultrafast photocurrents in MoSe2 probed by terahertz spectroscopy. 2D Materials 8 (2), 025012 (2021).
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Yoon, A., A. Herzog, P. Grosse, , S.W. Chee and B. Roldan Cuenya: Dynamic Imaging of Nanostructures in an Electrolyte with a Scanning Electron Microscope. Microscopy and Microanalysis 27 (1), 121–128 (2021).
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, , , and R. Schlögl: Perspective on experimental evaluation of adsorption energies at solid/liquid interfaces. Journal of Solid State Electrochemistry 25 (1), 33–42 (2021).
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Zhang, K., L. Li, , , H.-J. Freund and S.K. Shaikhutdinov: Size effect in two-dimensional oxide-on-metal catalysts of CO oxidation and its connection to oxygen bonding: An experimental and theoretical approach. Journal of Catalysis 393, 100–106 (2021).
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Zhong, J.Q., S.K. Shaikhutdinov and B. Roldan Cuenya: Structural Evolution of Ga–Cu Model Catalysts for CO2 Hydrogenation Reactions. The Journal of Physical Chemistry C 125 (2), 1361–1367 (2021).
2020
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, , , , , , , F. Schulz, and : Automated structure discovery in atomic force microscopy. Science Advances 6 (9), eaay6913 (2020).