Publications

Fritz Haber Institute of the Max Planck Society

Journal Article (231)

2020

Journal Article

Thomas, D., R. Chang, E. Mucha, M. Lettow, K. Greis, S. Gewinner, W. Schöllkopf, G. Meijer and G.von Helden: Probing the conformational landscape and thermochemistry of DNA dinucleotide anions via helium nanodroplet infrared action spectroscopy. Physical Chemistry Chemical Physics 22 (33), 18400–18413 (2020).

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Timmermann, J., F. Kraushofer, N. Resch, P. Li, Y. Wang, Z. Mao, M. Riva, Y. Lee, C. Staacke, M. Schmid, C. Scheurer, G.S. Parkinson, U. Diebold and K. Reuter: IrO₂ Surface Complexions Identified through Machine Learning and Surface Investigations. Physical Review Letters 125 (20), 206101 (2020).

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Timoshenko, J., H. Jeon, I. Sinev, F. Haase, A. Herzog and B. Roldan Cuenya: Linking the evolution of catalytic properties and structural changes in copper-zinc nanocatalysts using operando EXAFS and neural-networks. Chemical Science 11 (14), 3727–3736 (2020).

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Trunschke, A., G. Bellini, M. Boniface, S. Carey, J. Dong, E. Erdem, L. Foppa, W. Frandsen, M. Geske, L.M. Ghiringhelli, F. Girgsdies, R. Hanna, M. Hashagen, M. Hävecker, G. Huff, A. Knop-Gericke, G. Koch, P. Kraus, J. Kröhnert, P. Kube, S. Lohr, T. Lunkenbein, L. Masliuk, R. Naumann d’Alnoncourt, T. Omojola, C. Pratsch, S. Richter, C. Rohner, F. Rosowski, F. Rüther, M. Scheffler, R. Schlögl, A. Tarasov, D. Teschner, O. Timpe, P. Trunschke, Y. Wang and S. Wrabetz: Towards Experimental Handbooks in Catalysis. Topics in Catalysis 63 (19-20), 1683–1699 (2020).

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Trunschke, A., C. Draxl, R. Schlögl and M. Scheffler: Digitale Katalyse. Jahrbuch / Max-Planck-Gesellschaft 2019, 11659628 (2020).

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Tsyshevsky, R.V., A.R. Head, L. Trotochaud, H. Bluhm and M.M. Kuklja: Mechanisms of Degradation of Toxic Nerve Agents: Quantum-chemical Insight into Interactions of Sarin and Soman with Molybdenum Dioxide. Surface Science 700, 121639 (2020).

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Journal Article

Tuitje, F., P.M. Gil, T. Helk, J. Gautier, F. Tissandier, J.-P. Goddet, A. Guggenmos, U. Kleineberg, S. Sebban, E. Oliva, C. Spielmann and M. Zürch: Nonlinear ionization dynamics of hot dense plasma observed in a laser-plasma amplifier. Light: Science & Applications 9, 187 (2020).

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Urner, L.H., I. Liko, H.-Y. Yen, K.-K. Hoi, J.R. Bolla, J. Gault, F.G. Almeida, M.-P. Schweder, D. Shutin, S. Ehrmann, R. Haag, C.V. Robinson and K. Pagel: Modular detergents tailor the purification and structural analysis of membrane proteins including G-protein coupled receptors. Nature Communications 11 (1), 564 (2020).

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Urner, L.H., M. Schulze, Y.B. Maier, W. Hoffmann, S. Warnke, I. Liko, K. Folmert, C. Manz, C.V. Robinson, R. Haaga and K. Pagel: A new azobenzene-based design strategy for detergents in membrane protein research. Chemical Science 11 (13), 3538–3546 (2020).

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Vedmedenko, E.Y., R.K. Kawakami, D.D. Sheka, P. Gambardella, A.I. Kirilyuk, A. Hirohata, C. Binek, O. Chubykalo-Fesenko, S. Sanvito, B.J. Kirby, J. Grollier, K. Everschor-Sitte, T. Kampfrath, C.Y. You and A. Berger: The 2020 magnetism roadmap. Journal of Physics D 53 (45), 453001 (2020).

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Velasco Vélez, J., C.-H. Chuang, D. Gao, Q. Zhu, D. Ivanov, H.S. Jeon, R. Arrigo, R. Mom, E. Stotz, H.-L. Wu, T. Jones, B. Roldan Cuenya, A. Knop-Gericke and R. Schlögl: On the Activity/Selectivity and Phase Stability of Thermally Grown Copper Oxides during the Electrocatalytic Reduction of CO₂. ACS Catalysis 10 (19), 11510–11518 (2020).

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Velasco Velez, J., R. Mom, L. Sandoval Diaz, L. Falling, C.-H. Chuang, D. Gao, T. Jones, Q. Zhu, R. Arrigo, B. Roldan Cuenya, A. Knop-Gericke, T. Lunkenbein and R. Schlögl: Revealing the Active Phase of Copper during the Electroreduction of CO₂ in Aqueous Electrolyte by Correlating In Situ X-ray Spectroscopy and In Situ Electron Microscopy. ACS Energy Letters 5 (6), 2106–2111 (2020).

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Vempati, S.P.K., L. Bogner, C. Richter, J.-C. Deinert, L. Foglia, L. Gierster and J. Stähler: Photoexcited organic molecules en route to highly efficient autoionization. The Journal of Chemical Physics 152 (7), 074715 (2020).

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Journal Article

Wang, Y., H. Arandiyan, S.A. Bartlett, A. Trunschke, H. Sun, J. Scott, A.F. Lee, K. Wilson, T. Maschmeyer, R. Schlögl and R. Amal: Inducing synergy in bimetallic RhNi catalysts for CO₂ methanation by galvanic replacement. Applied Catalysis B 277, 119029 (2020).

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supplementary-material

Journal Article

Wang, Z.-J., J. Dong, L. Li, G. Dong, Y. Cui, Y. Yang, W. Wei, R. Blume, Q. Li, L. Wang, X. Xu, K. Liu, C. Barroo, J.W.M. Frenken, Q. Fu, X. Bao, R. Schlögl, F. Ding and M.G. Willinger: The coalescence behavior of two-dimensional materials revealed by multiscale in situ imaging during chemical vapor deposition growth. ACS Nano 14 (2), 1902–1918 (2020).

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Journal Article

Warnecke, J., M. Mayer, M. Rohdenburg, X. Ma, J.K.Y. Liu, M. Grellmann, S. Debnath, V.A. Azov, E. Apra, R.P. Young, C. Jenne, G.E. Johnson, H.I. Kenttämaa, K.R. Asmis and J. Laskin: Direct functionalization of C-H bonds by electrophilic anions. Proceedings of the National Academy of Sciences of the United States of America 117 (38), 23374–23379 (2020).

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Werny, M.J., Y. Wang, F. Girgsdies, R. Schlögl and A. Trunschke: Fluctuating Storage of the Active Phase in a Mn‐Na₂WO₄/SiO₂ Catalyst for the Oxidative Coupling of Methane. Angewandte Chemie 132 (35), 15031–15036 (2020).

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Journal Article

Werny, M.J., Y. Wang, F. Girgsdies, R. Schlögl and A. Trunschke: Fluctuating Storage of the Active Phase in a Mn‐Na₂WO₄/SiO₂ Catalyst for the Oxidative Coupling of Methane. Angewandte Chemie International Edition 59 (35), 14921–14926 (2020).

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Windsor, Y.W., A. Ernst, K. Kummer, K. Kliemt, C. Schüßler-Langeheine, N. Pontius, U. Staub, E.V. Chulkov, C. Krellner, D.V. Vyalikh and L. Rettig: Deterministic control of an antiferromagnetic spin arrangement using ultrafast optical excitation. Communications Physics 3, 139 (2020).

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Journal Article

Windsor, Y.W., M. Ramakrishnan, L. Rettig, A. Alberca, T. Lippert, C.W. Schneider and U. Staub: Multiple magnetic ordering phenomena in multiferroic o-HoMnO₃. Physical Review B 102 (21), 214423 (2020).

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Wolf, E., M.-M. Millet, F. Seitz, F.A. Redeker, W. Riedel, G. Scholz, W. Hetaba, D. Teschner, S. Wrabetz, F. Girgsdies, A. Klyushin, T. Risse, S. Riedel and E. Frei: F-doping of nanostructured ZnO: a way to modify structural, electronic, and surface properties. Physical Chemistry Chemical Physics 22 (20), 11273–11285 (2020).

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Wolf, M. and D.R.T. Zahn: Den Molekülen auf die Atome geschaut: Takashi Kumagai erhält Gaede-Preis 2020. Vakuum in Forschung und Praxis 32 (1), 14–16 (2020).

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Wouters, C., C.A. Sutton, L.M. Ghiringhelli, T. Markut, R. Schewski, A. Hassa, H. Von Wenckstern, M. Grundmann, M. Scheffler and M. Albrecht: Investigating the ranges of (meta)stable phase formation in (In_xGa_1−x)₂O₃: Impact of the cation coordination. Physical Review Materials 4 (12), 125001 (2020).

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Xian, R.P., Y. Acremann, S.Y. Agustsson, M.R. Dendzik, K. Bühlmann, D. Curcio, D. Kutnyakhov, F. Pressacco, M. Heber, S. Dong, T. Pincelli, J. Demsar, W. Wurth, P. Hofmann, M. Wolf, M. Scheidgen, L. Rettig and R. Ernstorfer: An open-source, end-to-end workflow for multidimensional photoemission spectroscopy. Scientific Data 7, 442 (2020).

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Zacharias, M., M. Scheffler and C. Carbogno: Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures. Physical Review B 102 (4), 045126 (2020).

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Journal Article

Zahn, D., P.-N. Hildebrandt, T. Vasileiadis, Y.W. Windsor, Y. Qi, H. Seiler and R. Ernstorfer: Anisotropic Nonequilibrium Lattice Dynamics of Black Phosphorus. Nano Letters 20 (5), 3728–3733 (2020).

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Zhang, X., P. Yan, J. Xu, F. Li, F. Herold, B.J.M. Etzold, P. Wang, D.S. Su, S. Lin, W. Qi and Z. Xie: Methanol conversion on borocarbonitride catalysts: Identification and quantification of active sites. Science Advances 6 (26), eaba5778 (2020).

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Journal Article

Zhong, J.Q., Z.-K. Han, K. Werner, X.Y. Li, Y. Gao, S.K. Shaikhutdinov and H.-J. Freund: Water‐Assisted Homolytic Dissociation of Propyne on a Reduced Ceria Surface. Angewandte Chemie International Edition 59 (15), 6150–6154 (2020).

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Journal Article

Zhong, J.Q., Z.-K. Han, K. Werner, X.Y. Li, Y. Gao, S.K. Shaikhutdinov and H.-J. Freund: Wasserunterstützte homolytische Dissoziation von Propin auf reduzierter Ceroxidoberfläche. Angewandte Chemie 132 (15), 6206–6211 (2020).

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Journal Article

Zhukov, S.S., V. Balos, G. Hoffman, S. Alom, M. Belyanchikov, M. Nebioglu, S. Roh, A. Pronin, G.R. Bacanu, P. Abramov, M. Wolf, M. Dressel, M.H. Levitt, R.J. Whitby, B. Gorshunov and M. Sajadi: Rotational coherence of encapsulated ortho and para water in fullerene-C₆₀ revealed by time-domain terahertz spectroscopy. Scientific Reports 10 (1), 18329 (2020).

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Journal Article

Zwaschka, G., I. Nahalka, A. Marchioro, Y. Tong, S. Roke and R.K. Campen: Imaging the Heterogeneity of the Oxygen Evolution Reaction on Gold Electrodes Operando: Activity is Highly Local. ACS Catalysis 10 (11), 6084–6093 (2020).

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publisher-version

Book (3)

2020

Book

Boetius, A., H. Bradke, F.-D. Drake, O. Edenhofer, M. Fleischer, B. Friedrich, S. Günter, J. Hanson, G. Haug, H.-M. Henning, R.F. Hüttl, J. Leohold, A. Löschel, C. Markschies, K. Pittel, J. Renn, D.U. Sauer, S. Schlacke, R. Schlögl, C.M. Schmidt, F. Schüth and I. Spiecker gen. Döhmann: Energiewende 2030: Europas Weg zur Klimaneutralität (2020). Nationale Akademie der Wissenschaften Leopoldina, Halle (Saale) (2020).

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Book

Boetius, A., H. Bradke, F.-D. Drake, O. Edenhofer, M. Fleischer, B. Friedrich, S. Günter, J. Hanson, G. Haug, H.-M. Henning, R.F. Hüttl, J. Leohold, A. Löschel, C. Markschies, K. Pittel, J. Renn, D.U. Sauer, S. Schlacke, R. Schlögl, C.M. Schmidt, F. Schüth and I. Spiecker gen. Döhmann: Energy transition 2030: Europe’s path to carbon neutrality. Nationale Akademie der Wissenschaften Leopoldina, Halle (Saale) (2020).

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Book

Pérez-Ríos, J.: An Introduction to Cold and Ultracold Chemistry: Atoms, Molecules, Ions and Rydbergs. Springer, Cham (2020).

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Book Chapter (6)

2020

Book Chapter

Bungartz, H.-J., C. Carbogno, M. Galgon, T. Huckle, S. Köcher, H.-H. Kowalski, P. Kus, B. Lang, H. Lederer, V. Manin, A. Marek, K. Reuter, M. Rippl, M. Scheffler and C. Scheurer: ELPA: A parallel solver for the generalized eigenvalue problem. In: Parallel Computing: Technology Trends. (Advances in Parallel Computing). IOS Press, Amsterdam, 647–668 (2020).

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publisher-version

Book Chapter

Draxl, C. and M. Scheffler: Big-Data-Driven Materials Science and its FAIR Data Infrastructure. In: Handbook of Materials Modeling. (Eds.): W. Andreoni and S. Yip. Springer, Cham, 49–73 (2020).

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Book Chapter

Freund, H.-J., M. Heyde, H. Kuhlenbeck, N. Nilius, T. Risse, S. Schauermann, T. Schmidt, S.K. Shaikhutdinov and M. Sterrer: Thin Oxide Films as Model Systems for Heterogeneous Catalysts. In: Springer Handbook of Surface Science. (Eds.): M. Rocca, T.S. Rahman, and L. Vattuone. Springer, Cham, 267–328 (2020).

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Book Chapter

Merz, T., G. Bierhance, E.-C. Flach, D. Kats, D. Usvyat and M. Schütz: Description of excited states in photochemistry with theoretical methods. In: Chemical photocatalysis. (Ed.): B. König. De Gruyter, Berlin, 379–414 (2020).

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Book Chapter

Reuter, K. and H. Metiu: A Decade of Computational Surface Catalysis. In: Handbook of Materials Modeling. 2. Ed. (Eds.): W. Andreoni and S. Yip. Springer, Cham, 1309–1319 (2020).

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Book Chapter

Sauceda, H.E., S. Chmiela, I. Poltavsky, K.-R. Müller and A. Tkatchenko: Construction of Machine Learned Force Fields with Quantum Chemical Accuracy: Applications and Chemical Insights. In: Machine Learning Meets Quantum Physics. (Eds.): K.T. Schütt, S. Chmiela, O.A. von Lilienfeld, A. Tkatchenko, K. Tsuda, and K.-R. Müller. (Lecture Notes in Physics, Vol. 968). Springer, Cham, 277–307 (2020).

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Conference Paper (3)

2020

Conference Paper

Johnson, A.N., G. Shen, S. Veseli, K. Shroff, T. Korhonen, H. Junkes, M.G. Konrad, R. Lange, S.M. Hartman, K.U. Kasemir, M.A. Davidsaver, M.R. Kraimer and K.H. Kim: EPICS 7 core status report. In: Proceedings of ICALEPS2019. JACoW, Geneva, 923–927 (2020).

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publisher-version

Conference Paper

Seiler, H., M. Krynski, D. Zahn, Y.W. Windsor, T. Vasileiadis, H. Sebastian, J. Pflaum, M. Rossi, R. Ernstorfer and H. Schwoerer: Probing atomic motions accompanying singlet exciton fission in pentacene. In: Proceedings, The 22nd International Conference on Ultrafast Phenomena 2020. OSA, Washington, D.C., Th2A.5 (2020).

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Conference Paper

Tuitje, F., M. Zürch, T. Helk, J. Gautier, F. Tissandier, J.-P. Goddet, E. Oliva, A. Guggenmos, U. Kleineberg, H. Stiel, S. Sebban and C. Spielmann: Ptychography and Single-Shot Nanoscale Imaging with Plasma-Based Laser Sources. In: X-Ray Lasers 2018: Proceedings of the 16th International Conference on X-Ray Lasers. (Eds.): M. Kozlová and J. Nejdl. (Springer Proceedings in Physics, Vol. 241). Springer, Cham, 155–162 (2020).

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Thesis - PhD (13)

2020

Thesis - PhD

Ali, H.: Liquid-Jet Photoemission Studies of the Interface between Metal-Oxide Nanoparticles and Aqueous Solution. Freie Universität Berlin

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Thesis - PhD

Attia, S.: Ligand-Directed Heterogeneous Catalysis on Model Surfaces: Construction of Ultra High Vacuum Molecular Beams/ Infrared Apparatus; Investigation of Hydrocarbon Interaction with Pt(111). Technische Universität Berlin

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Thesis - PhD

Debnath, S.: Gas-Phase Cryogenic Vibrational Spectroscopy of Metal Oxide Cluster Ions: Structure-Reactivity Relationship. Universität Leipzig

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Thesis - PhD

Falling, L.: Potential-driven surface phase transitions on iridium (hydr-)oxides and their relation to electrolytic water splitting. Technische Universität Berlin

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Thesis - PhD

Kießling, R.: Optical Sum-Frequency Response of Lattice Vibrations and Pulse Timing at a Free-Electron Laser. Freie Universität Berlin

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Thesis - PhD

Litman, Y. and M. Rossi: Tunneling and Zero-Point Energy Effects in Multidimensional Hydrogen Transfer Reactions: From Gas Phase to Adsorption on Metal Surfaces. Freie Universität Berlin

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Thesis - PhD

Mucha, E.: Vibrational Spectroscopy of Glycans in Helium Nanodroplets. Radboud University Nijmegen

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