Publications by the Fritz Haber Institute (2001-)

Journal Article (6036)

2021
Journal Article
Bielik, T. 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).
Journal Article
Boydas, E.B., B. Winter, D. Batchelor and M. Roemelt: 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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Cretu, M.T. 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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Cunningham, E.M., A.E. Green, G. Meizyte, A.S. Gentleman, P.W. Beardsmore, S. Schaller, K.M. Pollow, K. Saroukh, M. Förstel, O. Dopfer, W. Schöllkopf, A. Fielicke and S.R. Mackenzie: 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, B.G. Sartakov, 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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Fehre, K., M. Pitzer, F. Trinter, R. Berger, A. Schießer, H. Schmidt-Böcking, R. Dörner and M.S. Schöffler: 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., I. Hamada 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, M. Gradhand, T. Seifert, G. Bierhance, S.M. Rouzegar, M. Wolf, M. Vafaee, J. Cramer, M.A. Syskaki, G. Woltersdorf, I. Mertig, G. Jakob, M. Kläui 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.
Journal Article
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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Hollinger, R., P. Herrmann, V. Korolev, M. Zapf, V. Shumakova, R. Röder, I. Uschmann, A. Pugžlys , A. Baltuška , M. Zürch, C. Ronning, C. Spielmann and D. Kartashov: Polarization Dependent Excitation and High Harmonic Generation from Intense Mid-IR Laser Pulses in ZnO. Nanomaterials 11 (1), 4 (2021).
Journal Article
Kim, L.Y., J.H. Lee, Y.-T. Kim, S. Park, C.Y. Lee, W. Schöllkopf and B.S. Zhao: 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, L. Kain, S. Deng, A. Zappe, S. Gewinner, W. Schöllkopf, G.von Helden, G. Meijer, P.B. Savage, M. Marianski, L. Teyton and K. Pagel: Unravelling the structural complexity of glycolipids with cryogenic infrared spectroscopy. Nature Communications 12, 1201 (2021).
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Klingehof, M., P. Hauke, S. Brückner, S. Dresp, E. Wolf, H.N. Nong, T. Merzdorf, D. Bernsmeier, D. Teschner, R. Schlögl and P. Strasser: Modular Design of Highly Active Unitized Reversible Fuel Cell Electrocatalysts. ACS Energy Letters 6 (1), 177–183 (2021).
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Lupan, O., N. Magariu, R. Khaledialidusti, A. Mishra, S. Hansen, H. Krüger, V. Postica, H. Heinrich, B. Viana, L. Ono, B. Roldan Cuenya, L. Chow, R. Adelung and T. Pauporte: 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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Margraf, J.T. and K. Reuter: Pure non-local machine-learned density functional theory for electron correlation. Nature Communications 12, 344 (2021).
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Meunier, F.C., L. Cardenas, H. Kaper, B. Šmíd, M. Vorokhta, R. Grosjean, D. Aubert, 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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Ren, X., F. Merz, H. Jiang, Y. Yao, M. Rampp, H. Lederer, V. Blum 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, Y.-T. Chen, A. Yoon, A. Bagger, J. Rossmeisl and B. Roldan Cuenya: Pt-Sn-Co nanocubes as highly active catalysts for ethanol electro-oxidation. Journal of Catalysis 393, 247–258 (2021).
Journal Article
Rose, M.A., B. Šmíd, M. Vorokhta, I. Slipukhina , M. Andrä, H. Bluhm, T. Duchoň, M. Ležaić, S.A. Chambers, R. Dittmann, D.N. Mueller and F. Gunkel: Identifying Ionic and Electronic Charge Transfer at Oxide Heterointerfaces. Advanced Materials 33 (4), 2004132 (2021).
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Rose, M.A., B. Šmíd, M. Vorokhta, I. Slipukhina , M. Andrä, H. Bluhm, T. Duchoň, M. Ležaić, S.A. Chambers, R. Dittmann, D.N. Mueller and F. Gunkel: 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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Schwarz, H. 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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Spöri, C., L. Falling, M. Kroschel, C. Brand, A. Bonakdarpour, S. Kühl, D. Berger, M. Gliech, T. Jones, D.P. Wilkinson and P. Strasser: 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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Tompos, A., M. Sanchez-Sanchez, L. Végvári, G.P. Szijjártó, J.L. Margitfalvi, A. Trunschke, R. Schlögl, K. Wanninger and G. Mestl: 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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Ulrich, V., B. Moroz, P. Pyrjaev, I. Sinev, A. Bukhtiyarov, E. Gerasimov, V. Bukhtiyarov, B. Roldan Cuenya and W. Grünert: Three-way Catalysis with bimetallic supported Pd-Au catalysts: Gold as a poison and as a promotor. Applied Catalysis B 282, 119614 (2021).
Journal Article
Vanbuel, J., P. Ferrari, M. Jia, A. Fielicke and E. Janssens: 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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Veerapandian, S., W. Jang, J.B. Seol, H. Wang, M. Kong, K. Thiyagarajan, J. Kwak, G. Park, G. Lee, W. Suh, I. You, M.E. Kılıç, A. Giri, L. Beccai, A. Soon and U. Jeong: Hydrogen-doped viscoplastic liquid metal microparticles for stretchable printed metal lines. Nature Materials, in press.
Journal Article
Velasco Vélez, J., L. Falling, D. Bernsmeier, M.J. Sear, P.C.J. Clark, T.S. Chan, E. Stotz, M. Hävecker, R. Kraehnert, A. Knop-Gericke, C.-H.C. Chuang, D.E. Starr, M. Favaro and R. Mom: 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).
Journal Article
Volykhov, A.A., A.S. Frolov, V.S. Neudachina, N.V. Vladimirova, E. Gerber, C. Callaert, J. Hadermann, N.O. Khmelevsky, A. Knop-Gericke, J. Sánchez-Barriga and L.V. Yashina: Impact of ordering on the reactivity of mixed crystals of topological insulators with anion substitution: Bi2SeTe2 and Sb2SeTe2. Applied Surface Science 541, 148490 (2021).
Journal Article
Wang, M., C.-Y. Zhao, H.-Y. Zhou, Y. Zhao, Y. Li and J.-B. Ma: 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).
Journal Article
Xia, Y., C.T. Campbell, B. Roldan Cuenya and M. Mavrikakis: Introduction: Advanced Materials and Methods for Catalysis and Electrocatalysis by Transition Metals. Chemical Reviews 121 (2), 563–566 (2021).
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Xu, W., M. Andersen 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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Xu, Y., G. Luo, Q. Zhang, W. Cui, Z. Li and S. Zhang: 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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Yagodkin, D., L. Nadvornik, O. Gückstock, C. Gahl, T. Kampfrath and K.I. Bolotin: Ultrafast photocurrents in MoSe2 probed by terahertz spectroscopy. 2D Materials 8 (2), 025012 (2021).
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Yoon, A., A. Herzog, P. Grosse, D.H. Alsem, 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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Zeradjanin, A.R., I. Spanos, J. Masa, M. Rohwerder 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, J. Goniakowski, C. Noguera, 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
Journal Article
Ali, H., R. Golnak, R. Seidel, B. Winter and J. Xiao: In-Situ X-ray Spectroscopy of the Electric Double Layer around TiO2 Nanoparticles Dispersed in Aqueous Solution: Implications for H2 Generation. ACS Applied Nano Materials 3 (1), 264–273 (2020).
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Alldritt, B., P. Hapala, N. Oinonen, F. Urtev, O. Krejci, F.F. Canova, J. Kannala, F. Schulz, P. Liljeroth and A.S. Foster: Automated structure discovery in atomic force microscopy. Science Advances 6 (9), eaay6913 (2020).
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