Publications | Fritz Haber Institute of the Max Planck Society

Fritz Haber Institute of the Max Planck Society

Journal Article (272)

2021

Journal Article

Jahnke, T., R. Guillemin, L. Inhester, S.-K. Son, G. Kastirke, M. Ilchen, J. Rist, D. Trabert, N. Melzer, N. Anders, T. Mazza, R. Boll, A.D. Fanis, V. Music, T. Weber, M. Weller, S. Eckart, K. Fehre, S. Grundmann, A. Hartung, M. Hofmann, C. Janke, M. Kircher, G. Nalin, A. Pier, J. Siebert, N. Strenger, I. Vela-Perez, T.M. Baumann, P. Grychtol, J. Montano, Y. Ovcharenko, N. Rennhack, D.E. Rivas, R. Wagner, P. Ziolkowski, P. Schmidt, T. Marchenko, O. Travnikova, L. Journel, I. Ismail, E. Kukk, J. Niskanen, F. Trinter, C. Vozzi, M. Devetta, S. Stagira, M. Gisselbrecht, A.L. Jäger, X. Li, Y. Malakar, M. Martins, R. Feifel, L.P.H. Schmidt, A. Czasch, G. Sansone, D. Rolles, A. Rudenko, R. Moshammer, R. Dörner, M. Meyer, T. Pfeifer, M.S. Schöffler, R. Santra, M. Simon and M.N. Piancastelli: Inner-Shell-Ionization-Induced Femtosecond Structural Dynamics of Water Molecules Imaged at an X-Ray Free-Electron Laser. Physical Review X 11 (4), 041044 (2021).

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Jankowski, M., M. Saedi, F. La Porta, A.C. Manikas, C. Tsakonas, J.S. Cingolani, M. Andersen, M. de Voogd, G.J.C. van Baarle, K. Reuter, C. Galiotis, G. Renaud, O.V. Konovalov and I.M.N. Groot: Real-Time Multiscale Monitoring and Tailoring of Graphene Growth on Liquid Copper. ACS Nano 15 (6), 9638–9648 (2021).

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Jensen, I.J.T., A. Ali, P. Zeller, M. Amati, M. Schrade, P.E. Vullum, M.B. Muñiz, P. Bisht, T. Taniguchi, K. Watanabe, B.R. Mehta, L. Gregoratti and B.D. Belle: Direct Observation of Charge Transfer between NO_x and Monolayer MoS₂ by Operando Scanning Photoelectron Microscopy. ACS Applied Nano Materials 4 (4), 3319–3324 (2021).

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Jeon, H., J. Timoshenko, C. Rettenmaier, A. Herzog, A. Yoon, S.W. Chee, S. Oener, U. Hejral, F. Haase and B. Roldan Cuenya: Selectivity control of Cu nanocrystals in a gas-fed flow cell through CO₂ pulsed electroreduction. Journal of the American Chemical Society 143 (19), 7578–7587 (2021).

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Kahk, J.M., G.S. Michelitsch, R.J. Maurer, K. Reuter and J. Lischner: Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations. The Journal of Physical Chemistry Letters 12 (38), 9353–9359 (2021).

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Kang, L., B. Wang, A.T. Güntner, S. Xu, X. Wan, Y. Liu, S. Marlow, Y. Ren, D. Gianolio, C.C. Tang, V. Murzin, H. Asakura, Q. He, S. Guan, J. Velasco Vélez, S.E. Pratsinis, Y. Guo and F.R. Wang: The Electrophilicity of Surface Carbon Species in the Redox Reactions of CuO‐CeO₂ Catalysts. Angewandte Chemie International Edition 60 (26), 14420–14428 (2021).

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Kang, L., B. Wang, A.T. Güntner, S. Xu, X. Wan, Y. Liu, S. Marlow, Y. Ren, D. Gianolio, C.C. Tang, V. Murzin, H. Asakura, Q. He, S. Guan, J. Velasco Vélez, S.E. Pratsinis, Y. Guo and F.R. Wang: The Electrophilicity of Surface Carbon Species in the Redox Reactions of CuO‐CeO₂ Catalysts. Angewandte Chemie 133 (26), 14541–14549 (2021).

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Karagoz, B., R. Tsyshevsky, L. Trotochaud, Y. Yu, O. Karslıoğlu, M. Blum, B. Eichhorn, H. Bluhm, M.M. Kuklja and A.R. Head: NO₂ Interactions with MoO₃ and CuO at Atmospherically Relevant Pressures. The Journal of Physical Chemistry C 125 (30), 16489–16497 (2021).

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Karlsson, R., P. Chopra, A. Joshi, Z. Yang, S.Y. Vakhrushev, T. Clausen Mandel, C.D. Painter, G.P. Szekeres, Y.-H. Chen, D.R. Sandoval, L. Hansen, J.D. Esko, K. Pagel, D.P. Dyer, J.E. Turnbull, H. Clausen, G.-J. Boons and R.L. Miller: Dissecting structure-function of 3-O-sulfated heparin and engineered heparan sulfates. Science Advances 7 (52), eabl6026 (2021).

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Karra, M., B. Schmidt and B. Friedrich: Quantum dynamics of a polar rotor acted upon by an electric rectangular pulse of variable duration. Molecular Physics 119 (17-18), e1966111 (2021).

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Kersell, H., P. Chen, H. Martins, Q. Lu, F. Brausse, B.-H. Liu, M. Blum, S. Roy, B. Rude, A. Kilcoyne, H. Bluhm and S. Nemšák: Simultaneous ambient pressure x-ray photoelectron spectroscopy and grazing incidence x-ray scattering in gas environments. Review of Scientific Instruments 92 (4), 044102 (2021).

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Kick, M., C. Scheurer and H. Oberhofer: Polaron-Assisted Charge Transport in Li-Ion Battery Anode Materials. ACS Applied Energy Materials 4 (8), 8583–8591 (2021).

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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 23 (13), 8030–8036 (2021).

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Kirschbaum, C., K. Greis, M. Lettow, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden and K. Pagel: Non-covalent double bond sensors for gas-phase infrared spectroscopy of unsaturated fatty acids. Analytical and Bioanalytical Chemistry 413 (14), 3643–3653 (2021).

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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 (1), 1201 (2021).

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Kirschbaum, C., K. Greis, L. Polewski, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden and K. Pagel: Unveiling Glycerolipid Fragmentation by Cryogenic Infrared Spectroscopy. Journal of the American Chemical Society 143 (36), 14827–14834 (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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supplementary-material

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Koch, G., M. Hävecker, P. Kube, A. Tarasov, R. Schlögl and A. Trunschke: The Influence of the Chemical Potential on Defects and Function of Perovskites in Catalysis. Frontiers in Chemistry 9, 746229 (2021).

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Kokott, S., I. Hurtado, C. Vorwerk, C. Draxl, V. Blum and M. Scheffler: GIMS: Graphical Interface for Materials Simulations. The Journal of Open Source Software 6 (57), 2767 (2021).

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Krecinic, F. and R. Ernstorfer: Wave-Mechanical Electron-Optical Modeling of Field-Emission Electron Sources. Physical Review Applied 15 (06), 064031 (2021).

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Krynski, M. and M. Rossi: Efficient Gaussian Process Regression for prediction of molecular crystals harmonic free energies. npj Computational Materials 7, 169 (2021).

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Kunkel, C., J.T. Margraf, K. Chen, H. Oberhofer and K. Reuter: Active discovery of organic semiconductors. Nature Communications 12, 2422 (2021).

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Kunze, S., L.C. Tanase, M. Prieto, P. Grosse, F. Scholten, L.de S. Caldas, D. van Vörden, T. Schmidt and B. Roldan Cuenya: Plasma-assisted Oxidation of Cu(100) and Cu(111). Chemical Science 12 (42), 14241–14253 (2021).

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Küstner-Wetekam, C., X.Q. Hu, L. Marder, P. Schmidt, C. Ozga, C. Zindel, H. Otto, Y.G. Peng, J.G. Wang, C. Richter, N. Sisourat, U. Hergenhahn, A. Knie, A. Ehresmann, Y. Wu and A. Hans: Nature and impact of charge transfer to ground-state dications in atomic and molecular environments. Physical Review A 104 (4), 042802 (2021).

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Leidinger, P., J. Kraus, T. Kratky, P. Zeller, T.O. Menteş, F. Genuzio, A. Locatelli and S. Günther: Toward the perfect membrane material for environmental x-ray photoelectron spectroscopy. Journal of Physics D 54 (23), 234001 (2021).

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Leitherer, A., A. Ziletti and L.M. Ghiringhelli: Robust recognition and exploratory analysis of crystal structures via Bayesian deep learning. Nature Communications 12 (1), 6234 (2021).

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Lettow, M., K. Greis, M. Grabarics, J. Horlebein, R.L. Miller, G. Meijer, G.von Helden and K. Pagel: Chondroitin Sulfate Disaccharides in the Gas Phase: Differentiation and Conformational Constraints. The Journal of Physical Chemistry A 125 (20), 4373–4379 (2021).

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Lewandowski, A., S. Tosoni, L. Gura, Z. Yang, A. Fuhrich, M. Prieto, T. Schmidt, D. Usvyat, W.-D. Schneider, M. Heyde, G. Pacchioni and H.-J. Freund: Growth and Atomic‐Scale Characterization of Ultrathin Silica and Germania Films: The Crucial Role of the Metal Support. Chemistry – A European Journal 27 (6), 1870–1885 (2021).

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Li, H., Y. Liu, K. Chen, J. Margraf, Y. Li and K. Reuter: Subgroup Discovery Points to the Prominent Role of Charge Transfer in Breaking Nitrogen Scaling Relations at Single-Atom Catalysts on VS₂. ACS Catalysis 11 (13), 7906–7914 (2021).

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Li, J.-R., W.G. Tobias, K. Matsuda, C. Miller, G. Valtolina, L.D. Marco, R.R.W. Wang, L. Lassablière, G. Quéméner, J.L. Bohn and J. Ye: Tuning of dipolar interactions and evaporative cooling in a three-dimensional molecular quantum gas. Nature Physics 17 (10), 1144–1148 (2021).

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Journal Article

Li, K., S.Z. Andersen, M.J. Staff, M. Saccoccio, V.J. Bukas, K. Krempl, R. Sazinas, J.B. Pedersen, V. Shadravan, Y. Zhou, D. Chakraborty, J. Kibsgaard, P.C.K. Vesborg, J.K. Nørskov and I. Chorkendorff: Enhancement of lithium-mediated ammonia synthesis by addition of oxygen. Science 374 (6575), 1593–1597 (2021).

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Li, Y., M.C. Babin, S. Debnath, T. Iwasa, S. Kumar, T. Taketsugu, K.R. Asmis, A. Lyalin and D.M. Neumark: Structural Characterization of Nickel-Doped Aluminum Oxide Cations by Cryogenic Ion Trap Vibrational Spectroscopy. The Journal of Physical Chemistry A 125 (43), 9527–9535 (2021).

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Li, Z., K. Werner, L. Chen, A. Jia, K. Qian, J.Q. Zhong, R. You, L. Wu, L. Zhang, H. Pan, X.-P. Wu, X.-Q. Gong, S.K. Shaikhutdinov, W. Huang and H.-J. Freund: Interaction of Hydrogen with Ceria: Hydroxylation, Reduction, and Hydride Formation on the Surface and in the Bulk. Chemistry – A European Journal 27 (16), 5268–5276 (2021).

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Li, Z., R. Zou, Y. Xu, L. Cao, G. Luo and H. Yao: Kinetic Study on Continuous Sampling of Coal Char from a Micro Fluidized Bed. ACS Omega 6 (13), 9086–9094 (2021).

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Liu, J., Y. Zou, D. Cruz, A. Savateev, M. Antonietti and G. Vilé: Ligand-Metal Charge Transfer Induced via Adjustment of Textural Properties Controls the Performance of Single-Atom Catalysts during Photocatalytic Degradation. ACS Applied Materials and Interfaces 13 (22), 25858–25867 (2021).

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Liu, Q., G. Zhu, R. Li, S. Lou, H. Huo, Y. Ma, J. An, C. Chuntian, F. Kong, Z. Jiang, M. Lu, Y. Tong, L. Ci, G. Yin and J. Wang: Fast lithium transport kinetics regulated by low energy-barrier Li_xMnO₂ for long-life lithium metal batteries. Energy Storage Materials 41, 1–7 (2021).

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Liu, S., A. Hammud, M. Wolf and T. Kumagai: Atomic Point Contact Raman Spectroscopy of a Si(111)-7 × 7 Surface. Nano Letters 21 (9), 4057–4061 (2021).

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Liu, S., A. Hammud, M. Wolf and T. Kumagai: Anti-Stokes Light Scattering Mediated by Electron Transfer Across a Biased Plasmonic Nanojunction. ACS Photonics 8 (9), 2610–2617 (2021).

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Liu, W., Y. Kong, B. Wang, X. Li, P. Liu, A.R.P. Santiago and T. He: Computational Study of the Curvature-Promoted Anchoring of Transition Metals for Water Splitting. Nanomaterials 11 (12), 3173 (2021).

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Liu, X., G. Meijer and J. Pérez-Ríos: On the relationship between spectroscopic constants of diatomic molecules: a machine learning approach. RSC Advances 11 (24), 14552–14561 (2021).

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Liu, Y., H. Kuhlenbeck and H.-J. Freund: Eine neue Methode zur Messung von Schwingungen an Festkörperoberflächen: Surface Action Spectroscopy. Bunsen-Magazin 23 (6), 276–279 (2021).

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Liu, Y., Y. Peng, M. Naschitzki, S. Gewinner, W. Schöllkopf, H. Kuhlenbeck, R. Pentcheva and B. Roldan Cuenya: Surface oxygen Vacancies on Reduced Co₃O₄(100): Superoxide Formation and Ultra-Low-Temperature CO Oxidation. Angewandte Chemie International Edition 60 (30), 16514–16520 (2021).

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Liu, Y., Y. Peng, M. Naschitzki, S. Gewinner, W. Schöllkopf, H. Kuhlenbeck, R. Pentcheva and B. Roldan Cuenya: Surface oxygen Vacancies on Reduced Co₃O₄(100): Superoxide Formation and Ultra-Low-Temperature CO Oxidation. Angewandte Chemie 60 (30), 16514–16520 (2021).

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Liu, Y., Z. Wu, H. Kuhlenbeck and H.-J. Freund: Surface Action Spectroscopy: A Review and a Perspective on a New Technique to Study Vibrations at Surfaces. The Chemical Record 20 (6), 1270–1283 (2021).

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Lopez-Luna, M., J. Timoshenko, D. Kordus, C. Rettenmaier, S.W. Chee, A.S. Hoffman, S.R. Bare, S.K. Shaikhutdinov and B. Roldan Cuenya: Role of the Oxide Support on the Structural and Chemical Evolution of Fe Catalysts during the Hydrogenation of CO₂. ACS Catalysis 11 (10), 6175–6185 (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 versus Hydrothermal Treatment Effects on the Detection Performances of ZnO Nanowires. ACS Applied Materials and Interfaces 13 (8), 10537–10552 (2021).

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Maklar, J., Y.W. Windsor, C.W. Nicholson, M. Puppin, P. Walmsley, V. Esposito, M. Porer, J. Rittmann, D. Leuenberger, M. Kubli, M. Savoini, E. Abreu, S.L. Johnson, P. Beaud, G. Ingold, U. Staub, I.R. Fisher, R. Ernstorfer, M. Wolf and L. Rettig: Nonequilibrium Charge-Density-Wave Order Beyond the Thermal Limit. Nature Communications 12, 2499 (2021).

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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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Malerz, S., K. Mudryk, L. Tomaník, D. Stemer, U. Hergenhahn, T. Buttersack, F. Trinter, R. Seidel, W. Quevedo, C. Goy, I. Wilkinson, S. Thürmer, P. Slavíček and B. Winter: Following in Emil Fischer’s Footsteps: A Site-Selective Probe of Glucose Acid-Base Chemistry. The Journal of Physical Chemistry A 125 (32), 6881–6892 (2021).

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Malerz, S., F. Trinter, U. Hergenhahn, A. Ghrist, H. Ali, C. Nicolas, C.-M. Saak, C. Richter, S. Hartweg, L. Nahon, C. Lee, C. Goy, D.M. Neumark, G. Meijer, I. Wilkinson, B. Winter and S. Thürmer: Low-energy constraints on photoelectron spectra measured from liquid water and aqueous solutions. Physical Chemistry Chemical Physics 23 (14), 8246–8260 (2021).

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