Publications by the Fritz Haber Institute (2001-)

Journal Article

Chen, Z., X. Wang, Z.-K. Han, S. Zhang, S. Pollastri, Q. Fan, Z. Qu, D. Sarker, C. Scheu, M. Huang and H. Cölfen: Aufdeckung des Entstehungsmechanismus und Optimierung der Synthesebedingungen von geschichteten Doppelhydroxiden für die Sauerstoffentwicklungsreaktion. Angewandte Chemie 135 (10), e202215728 (2023).

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Journal Article

Chen, Z., X. Wang, Z.-K. Han, S. Zhang, S. Pollastri, Q. Fan, Z. Qu, D. Sarker, C. Scheu, M. Huang and H. Cölfen: Revealing the Formation Mechanism and Optimizing the Synthesis Conditions of Layered Double Hydroxides for the Oxygen Evolution Reaction. Angewandte Chemie, International Edition in English e202215728 (2023).

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Journal Article

Christiansen, D., M. Selig, M. Rossi and A. Knorr: Optical classification of excitonic phases in molecular functionalized atomically-thin semiconductors. Physical Review B 107 (4), L041401 (2023).

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Journal Article

Demling, A., S.B. King, P. Shushkov and J. Stähler: O₂ Reduction at a DMSO/Cu(111) Model Battery Interface. The Journal of Physical Chemistry C 127 (6), 2894–2900 (2023).

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Journal Article

Dupuy, R., S. Thürmer, C. Richter, T. Buttersack, F. Trinter, B. Winter and H. Bluhm: Core-Level Photoelectron Angular Distributions at the Liquid–Vapor Interface. Accounts of Chemical Research 56 (3), 215–223 (2023).

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Journal Article

Fidanyan, K., G. Liu and M. Rossi: Ab initio study of water dissociation on a charged Pd(111) surface. The Journal of Chemical Physics 158 (9), 094707 (2023).

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Journal Article

Foppa, L., Rüther Frederik, M. Geske, G. Koch, F. Girgsdies, P. Kube, S. Carey, M. Hävecker, O. Timpe, A. Tarasov, M. Scheffler, F. Rosowski, R. Schlögl and A. Trunschke: Data-Centric Heterogeneous Catalysis: Identifying Rules and Materials Genes of Alkane Selective Oxidation. Journal of the American Chemical Society 145 (6), 3427–3442 (2023).

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Journal Article

Fuhrich, A., J. Paier, S. Tosoni, A. Lewandowski, L. Gura, W.-D. Schneider, G. Pacchioni and H.-J. Freund: Mixed Germania-Silica Films on Ru(0001): A combined experimental and theoretical study. Israel Journal of Chemistry e202300005 (2023).

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Journal Article

Gura, L., E.A. Soares, J. Paier, F. Stavale and H.-J. Freund: Models for Reactions in Confined Space: Can Surface Science Contribute? A Review and Perspective. Topics in Catalysis, in press.

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Journal Article

Hans, A., F. Trinter, P. Schmidt, S. Eckart, S. Grundmann, G. Hartmann, X. Holzapfel, C. Honisch, G. Kastirke, M. Kircher, N. Melzer, C. Ozga, C. Richter, J. Rist, M. Schöffler, D. Trabert, I. Vela-Perez, J.H. Viehmann, M. Weller, R. Dörner, U. Hergenhahn, A. Ehresmann, A. Knie, K. Gokhberg, A. Ghosh and T. Jahnke: Mechanisms of one-photon two-site double ionization after resonant inner-valence excitation in Ne clusters. Physical Review Research 5 (1), 013055 (2023).

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Journal Article

Hofsäss, S., E. Padilla, S. Wright, S. Kray, R. Thomas, B.G. Sartakov, B. Ohayon, G. Meijer and S. Truppe: High-resolution isotope-shift spectroscopy of Cd I. Physical Review Research 5 (1), 013043 (2023).

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Journal Article

Hu, G., W. Ma, D. Hu, J. Wu, C. Zheng, K. Liu, X. Zhang, X. Ni, J. Chen, X. Zhang, Q. Dai, J.D. Caldwell, A. Paarmann, A. Alù, P. Li and C.-W. Qiu: Real-space nanoimaging of hyperbolic shear polaritons in a monoclinic crystal. Nature Nanotechnology 18 (1), 64–70 (2023).

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Journal Article

Jerigova, M., Y. Markushyna, I.F. Teixeira, B. Badamdorj, M. Isaacs, D. Cruz, I. Lauermann, M.Á. Muñoz-Márquez, N.V. Tarakina, N. López-Salas, O. Savateev and P. Jimenéz-Calvo: Green Light Photoelectrocatalysis with Sulfur-Doped Carbon Nitride: Using Triazole-Purpald for Enhanced Benzylamine Oxidation and Oxygen Evolution Reactions. Advanced Science 2300099

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Journal Article

Jiménez, A.M.B., O. Sichevych, I. Spanos, S.G. Altendorf, A. Ormeci and I. Antonyshyn: Al-Pt compounds catalyzing the oxygen evolution reaction. Dalton Transactions 52 (5), 1433–1440 (2023).

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Journal Article

Kirschbaum, C., R.S.E. Young, K. Greis, J.P. Menzel, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden, T. Causon, V.R. Narreddula, B.L.J. Poad, S.J. Blanksby and K. Pagel: Establishing carbon-carbon double bond position and configuration in unsaturated fatty acids by gas-phase infrared spectroscopy. Chemical Science, in press.

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Journal Article

Koehlenbeck, S.M., C.M. Mow‑Lowry, G. Bergmann, R. Kirchoff, P. Koch, G. Kühn, J. Lehmann, P. Oppermann, J. Wöhler and D.S. Wu: A study on motion reduction for suspended platforms used in gravitational wave detectors. Scientific Reports 13, 2388 (2023).

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Journal Article

Kordus, D., J. Jelic, M. Lopez-Luna, Divins Núria J., J. Timoshenko, S.W. Chee, C. Rettenmaier, J. Kröhnert, S. Kühl, A. Trunschke, R. Schlögl, F. Studt and B. Roldan Cuenya: Shape-Dependent CO₂ Hydrogenation to Methanol over Cu₂O Nanocubes Supported on ZnO. Journal of the American Chemical Society, in press.

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Journal Article

Le, H.V., P.H. Ho, A. Trunschke and R. Schomäcker: Stepwise conversion of methane to methanol on Cu and Fe/zeolites prepared in solid state: the effect of zeolite type and activation temperature. Journal of Chemical Technology and Biotechnology, in press.

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Journal Article

Leitenstorfer, A., A.S. Moskalenko, T. Kampfrath, J. Kono, E.C.- Camus, K. Peng, N. Qureshi, D. Turchinovich, K. Tanaka, A.G. Markelz, M. Havenith, C. Hough, H.J. Joyce, W.J. Padilla, B. Zhou, K.-Y. Kim, X.-C. Zhang, P.U. Jepsen, S. Dhillon, M. Vitiello, E. Linfield, A.G. Davies, M.C. Hoffmann, R. Lewis, M. Tonouchi, P. Klarskov, T. Seifert, Y.A. Gerasimenko, D. Mihailovic, R. Huber, J.L. Boland, O. Mitrofanov, P. Dean, B.N. Ellison, P.G. Huggard, S.P. Rea, C. Walker, D.T. Leisawitz, J.R. Gao, C. Li, Q. Chen, G. Valušis, V.P. Wallace, E. Pickwell-MacPherson, X. Shang, J. Hesler, N. Ridler, C.C. Renaud, I. Kallfass, T. Nagatsuma, J.A. Zeitler, D. Arnone, M.B. Johnston and J. Cunningham: The 2023 Terahertz Science and Technology Roadmap. Journal of Physics D: Applied Physics, in press.

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Journal Article

Liu, H., J. Timoshenko, L. Bai, Q. Li, M. Rüscher, C. Sun, B. Roldan Cuenya and J. Luo: Low-Coordination Rhodium Catalysts for an Efficient Electrochemical Nitrate Reduction to Ammonia. ACS Catalysis 13 (2), 1513–1521 (2023).

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Journal Article

Liu, X., L. McKemmish and J. Pérez-Ríos: The performance of CCSD(T) for the calculation of dipole moments in diatomics. Physical Chemistry Chemical Physics 25 (5), 4093–4104 (2023).

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Journal Article

Margraf, J.: Science-Driven Atomistic Machine Learning. Angewandte Chemie International Edition e202219170 (2023).

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Journal Article

Margraf, J.: Science-Driven Atomistic Machine Learning. Angewandte Chemie e202219170

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Journal Article

Margraf, J., H. Jung, C. Scheurer and K. Reuter: Exploring catalytic reaction networks with machine learning. Nature Catalysis 6 (2), 112–121 (2023).

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Journal Article

Mirahmadi, M., B. Friedrich, B. Schmidt and J. Pérez-Ríos: Mapping atomic trapping in an optical superlattice onto the libration of a planar rotor in electric fields. New Journal of Physics 25 (2), 023024 (2023).

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Journal Article

Mirahmadi, M. and J. Pérez-Ríos: Ion-atom-atom three-body recombination: From the cold to the thermal regime. The Journal of Chemical Physics 158 (2), 024103 (2023).

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Journal Article

Munz, M., J. Poon, W. Frandsen, B. Roldan Cuenya and C. Kley: Nanoscale Electron Transfer Variations at Electrocatalyst–Electrolyte Interfaces Resolved by in Situ Conductive Atomic Force Microscopy. Journal of the American Chemical Society 145 (9), 5242–5251 (2023).

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Journal Article

Nalin, G., N.M. Novikovskiy, K. Fehre, N. Anders, D. Trabert, S. Grundmann, M. Kircher, A. Khan, R. Tomar, M. Hofmann, M. Waitz, I. Vela-Perez, G. Kastirke, J. Siebert, D. Tsitsonis, C. Küstner-Wetekam, L. Marder, J. Viehmann, F. Trinter, H. Fukuzawa, K. Ueda, J.B. Williams, A. Knie, R. Dörner, M.S. Schöffler, T. Jahnke and P.V. Demekhin: Molecular-frame differential photoelectron circular dichroism of O 1s-photoelectrons of trifluoromethyloxirane. Physical Review Research 5 (1), 013021 (2023).

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Journal Article

Petersen, A.S., K.D. Jensen, H. Wan, A. Bagger, I. Chorkendorff, I.E.L. Stephens, J. Rossmeisl and M. Escudero-Escribano: Modeling Anion Poisoning during Oxygen Reduction on Pt Near-Surface Alloys. ACS Catalysis 13 (4), 2735–2743 (2023).

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Journal Article

Reinwardt, S., I. Baev, F. Linß, P. Cieslik, O. Raberg, T. Buhr, A. Perry-Sassmannshausen, S. Schippers, A. Müller, F. Trinter, A. Guda, R. Laasch and M. Martins: An integrated ion trap for the photon–ion spectrometer at PETRA III. Review of Scientific Instruments 94 (2), 023201 (2023).

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Journal Article

Rouzegar, R., A.L. Chekhov, Y. Behovits, B. Rosinus Serrano, M.A. Syskaki, C.H. Lambert, D. Engel, U. Martens, M. Münzenberg, M. Wolf, G. Jakob, M. Kläui, T. Seifert and T. Kampfrath: Broadband Spintronic Terahertz Source with Peak Electric Fields Exceeding 1.5 MV/cm. Physical Review Applied 19 (3), 034018 (2023).

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Journal Article

Royer, L., A. Bonnefont, T. Asset, B. Rotonnelli, J. Velasco Vélez, S. Holdcroft, S. Hettler, R. Arenal, B. Pichon and E. Savinova: Cooperative Redox Transitions Drive Electrocatalysis of the Oxygen Evolution Reaction on Cobalt–Iron Core–Shell Nanoparticles. ACS Catalysis 13 (1), 280–286 (2023).

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Journal Article

Scardamaglia, M., H. Bluhm, S. Nemšák and A. Shavorskiy: Depth distribution of alkali metal ions on supported graphene in the presence of water. Journal of Electron Spectroscopy and Related Phenomena 262 (1), 147281 (2023).

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Journal Article

Schmidt-Böcking, H., G. Gruber and B. Friedrich: One hundred years ago Alfred Landé unriddled the Anomalous Zeeman Effect and presaged Electron Spin. Physica Scripta 98 (1), 014005 (2023).

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Journal Article

Seiler, H., D. Zahn, V. Taylor, M.I. Bodnarchnuk, Y.W. Windsor, M.V. Kovalenko and R. Ernstorfer: Direct Observation of Ultrafast Lattice Distortions during Exciton–Polaron Formation in Lead Halide Perovskite Nanocrystals. ACS Nano 17 (3), 1979–1988 (2023).

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Journal Article

Song, F., J.W. Straten, Y.-M. Lin, Y. Ding, R. Schlögl, S. Heumann and A.K. Mechler: Binder-Free N-Functionalized Carbon Electrodes for Oxygen Evolution Reaction. ChemElectroChem e202201075 (2023).

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Journal Article

Timoshenko, J., F. Haase, S. Saddeler, M. Rüscher, H. Jeon, A. Herzog, U. Hejral, A. Bergmann, S. Schulz and B. Roldan Cuenya: Deciphering the Structural and Chemical Transformations of Oxide Catalysts during Oxygen Evolution Reaction Using Quick X-ray Absorption Spectroscopy and Machine Learning. Journal of the American Chemical Society 145 (7), 4065–4080 (2023).

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Journal Article

Triptow, J., A. Fielicke, G. Meijer and M. Green: Imaging Photoelectron Circular Dichroism in the Detachment of Mass‐Selected Chiral Anions. Angewandte Chemie International Edition 62 (1), e2022120 (2023).

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Journal Article

Triptow, J., A. Fielicke, G. Meijer and M. Green: Abbildung des Photoelektronen-Zirkulardichroismus im Detachment massenselektierter, chiraler Anionen. Angewandte Chemie 135 (1), e202212020 (2023).

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Journal Article

Wang, Y., M. Mirahmadi, A.A. Elkamshishy and J. Pérez-Ríos: Hyperradial Distribution Function of Few-Body Problems: A New Arena for Extreme Value Theory. Few-Body Systems 64 (1), 6 (2023).

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Journal Article

Wartner, G., D. Hein, A. Bergmann, R. Wendt, B. Roldan Cuenya and R. Seidel: Insights into the electronic structure of Fe-Ni thin-film catalysts during oxygen evolution reaction using operando resonant Photoelectron Spectroscopy. Journal of Materials Chemistry A, in press.

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Journal Article

Winter, B., S. Thürmer and I. Wilkinson: Absolute Electronic Energetics and Quantitative Work Functions of Liquids from Photoelectron Spectroscopy. Accounts of Chemical Research 56 (2), 77–85 (2023).

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Journal Article

Xian, R.P., V. Stimper, M. Zacharias, M.R. Dendzik, S. Dong, S. Beaulieu, B. Schölkopf, M. Wolf, L. Rettig, C. Carbogno, S. Bauer and R. Ernstorfer: A machine learning route between band mapping and band structure. Nature Computational Science 3 (1), 101–114 (2023).

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Journal Article

Zhan, C., J. Yi, S. Hu, X.-G. Zhang, D.-Y. Wu and Z.-Q. Tian: Plasmon-mediated chemical reactions. Nature Reviews Methods primers 3 (1), 12 (2023).

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Journal Article

Zhang, X., Z.-K. Han, L. Xu, H. Xu, H. Ni, X. Hu, H. Zhou, Y. Zou and J. Wang: Evolution of precipitate and precipitate/matrix interface in Al-Zn-Mg-Cu (-Ag) alloys. Journal of Materials Science & Technology 138, 157–170 (2023).

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2022

Journal Article

Aggoune, W., A. Eljarrat, D. Nabok, K. Irmscher, M. Zupancic, Z. Galazka, M. Albrecht, C. Koch and C. Draxl: A consistent picture of excitations in cubic BaSnO₃ revealed by combining theory and experiment. Communications Materials 3, 12 (2022).

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Journal Article

Ahsan, M.A., T. He, J.C. Noveron, K. Reuter, A.R. Puente-Santiago and R. Luque: Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective. Chemical Society Reviews 51 (3), 812–828 (2022).

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Journal Article

Akay, Ö., J. Poon, C. Robertson, F.F. Abdi, B. Roldan Cuenya, M. Giersig and K. Brinkert: Releasing the Bubbles: Nanotopographical Electrocatalyst Design for Efficient Photoelectrochemical Hydrogen Production in Microgravity Environment. Advanced Science 9 (8), 2105380 (2022).

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Journal Article

Arrigo, R., R. Blume, A.I. Large, J. Velasco Vélez, M. Hävecker, A. Knop-Gericke and G. Held: Dynamics over a Cu-graphite electrode during the gas-phase CO₂ reduction investigated by APXPS. Faraday Discussions 236, 126–140 (2022).

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