Publications

Journal Article

Pugini, M., B. Credidio, I. Walter, S. Malerz, F. Trinter, D. Stemer, U. Hergenhahn, G. Meijer, I. Wilkinson, B. Winter and S. Thurmer: How to measure work functions from aqueous solutions. Chemical Science 14 (35), 9574–9588 (2023).

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Purcell, T., M. Scheffler and L.M. Ghiringhelli: Recent advances in the SISSO method and their implementation in the SISSO++ Code. The Journal of Chemical Physics 159 (11), 114110 (2023).

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Purcell, T., M. Scheffler, L.M. Ghiringhelli and C. Carbogno: Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence. npj Computational Materials 9, 112 (2023).

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Journal Article

Reinwardt, S., I. Baev, P. Cieslik, K. Baev, T. Buhr, A. Perry-Sassmannshausen, S. Schippers, A. Müller, F. Trinter, J. Viefhaus and M. Martins: Soft X-Ray-induced Dimerization of Methane. The Astrophysical Journal 952 (1), 39 (2023).

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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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Riedel, J., M. Lettow, M. Grabarics, M. Götze, R.L. Miller, G.-J. Boons, G. Meijer, G.von Helden, G.P. Szekeres and K. Pagel: Predicting Structural Motifs of Glycosaminoglycans using Cryogenic Infrared Spectroscopy and Random Forest. Journal of the American Chemical Society 145 (14), 7859–7868 (2023).

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Journal Article

Rist, J., M. Weller, M. Kircher, D. Trabert, N. Melzer, J. Siebert, I. Vela-Perez, M. Waitz, G. Kastirke, S. Eckart, S. Grundmann, M.S. Schöffler, R. Dörner, F. Trinter and T. Jahnke: Observation of a collective two-electron molecular resonance. Physical Review Research 5 (4), 043283 (2023).

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Rohner, C., C. Pratsch, R. Schlögl and T. Lunkenbein: Structural Identification and Observation of Dose Rate-Dependent Beam-Induced Structural Changes of Micro- and Nanoplastic Particles by Pair Distribution Function Analysis in the Transmission Electron Microscope (ePDF). Microscopy and Microanalysis 29 (5), 1566–1578 (2023).

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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

Rüther, F., R. Baumgarten, F. Ebert, E. Gioria, R.N. d'Alnoncourt, A. Trunschke and F. Rosowski: Tuning catalysis by surface-deposition of elements on oxidation catalysts via atomic layer deposition. Catalysis Science & Technology 13, 4117–4130 (2023).

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Journal Article

Safferthal, M., K. Greis, R. Chang, C. Kirschbaum, W. Hoffmann, G. Meijer, G.von Helden and K. Pagel: Cryogenic infrared spectroscopy reveals remarkably short NH⁺⋯F hydrogen bonds in fluorinated phenylalanines. Physical Chemistry Chemical Physics 25 (36), 24783–24788 (2023).

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Journal Article

Salzmann, B., E. Hujala, C. Witteveen, B. Hildebrand, H. Berger, F.O. von Rohr, C.W. Nicholson and C. Monney: Observation of the metallic mosaic phase in 1T-TaS₂ at equilibrium. Physical Review Materials 7 (6), 064005 (2023).

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Journal Article

Santaya, M., C.E. Jiménez, M.D. Arce, E. Carbonio, L.M. Toscani, R. Garcia-Diez, A. Knop-Gericke, L.V. Mogni, M. Bär and H.E. Troiani: Exsolution versus particle segregation on (Ni,Co)-doped and undoped SrTi_0.3Fe_0.7O_3-δ perovskites: Differences and influence of the reduction path on the final system nanostructure. International Journal of Hydrogen Energy 48 (98), 38842–38853 (2023).

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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

Schippers, S., P.-M. Hillenbrand, A. Perry-Sassmannshausen, T. Buhr, S. Fuchs, S. Reinwardt, F. Trinter, A. Müller and M. Martins: Vibrationally Resolved Inner-Shell Photoexcitation of the Molecular Anion C₂^-. ChemPhysChem 24 (11), e202300061 (2023).

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Journal Article

Schippers, S., P.-M. Hillenbrand, A. Perry-Sassmannshausen, T. Buhr, S. Fuchs, S. Reinwardt, F. Trinter, A. Müller and M. Martins: Cover Feature: Vibrationally Resolved Inner-Shell Photoexcitation of the Molecular Anion C₂^- (ChemPhysChem 11/2023). ChemPhysChem 24 (11), e202300325 (2023).

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Journal Article

Schleker, P.P.M., C. Grosu, M. Paulus, P. Jakes, R. Schlögl, R.-A. Eichel, C. Scheurer and J. Granwehr: Electrolyte contact changes nano-Li₄Ti₅O₁₂ bulk properties via surface polarons. Communications Chemistry 6 (1), 113 (2023).

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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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Schultz, T., M. Kneiß, P. Storm, D. Splith, H. von Wenckstern, C.T. Koch, A. Hammud, M. Grundmann and N. Koch: Growth of κ-([Al,In]_xGa_1-x)₂O₃ Quantum Wells and Their Potential for Quantum-Well Infrared Photodetectors. ACS Applied Materials and Interfaces 15 (24), 29535–29541 (2023).

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Seifert, T., D. Go, H. Hayashi, R. Rouzegar, F. Freimuth, K. Ando, Y. Mokrousov and T. Kampfrath: Time-domain observation of ballistic orbital-angular-momentum currents with giant relaxation length in tungsten. Nature Nanotechnology 18, 1132–1138 (2023).

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Seifert, T., D. Go, H. Hayashi, R. Rouzegar, F. Freimuth, K. Ando, Y. Mokrousov and T. Kampfrath: Publisher Correction: Time-domain observation of ballistic orbital-angular-momentum currents with giant relaxation length in tungsten. Nature Nanotechnology 18 (10), 1254–1254 (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

Stemer, D., T. Buttersack, H. Haak, S. Malerz, H.C. Schewe, F. Trinter, K. Mudryk, M. Pugini, B. Credidio, R. Seidel, U. Hergenhahn, G. Meijer, S. Thürmer and B. Winter: Photoelectron spectroscopy from a liquid flatjet. The Journal of Chemical Physics 158 (23), 234202 (2023).

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Journal Article

Stocker, S., H. Jung, G. Csányi, C.F. Goldsmith, K. Reuter and J. Margraf: Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration. Journal of Chemical Theory and Computation 19 (19), 6796–6804 (2023).

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Journal Article

Stropoli, S.J., K. Greis, T. Schleif and M.A. Johnson: Characterization of Oxidation Products from HOCl Uptake by Microhydrated Methionine Anions using Cryogenic Ion Vibrational Spectroscopy. The Journal of Physical Chemistry A 127 (19), 4269–4276 (2023).

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Full

Journal Article

Szekeres, G.P., E. Hanozin, R. Diehn, J. Horlebein, L. Polewski, A. Zappe, D. Lauster and K. Pagel: Heparin increases the antibiotic efficacy of colistin. Frontiers in Analytical Science 3, 3:1154391 (2023).

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Journal Article

Taccone, M., D. Thomas, K. Ober, S. Gewinner, W. Schöllkopf, G. Meijer and G.von Helden: Infrared action spectroscopy of the deprotonated formic acid trimer, trapped in helium nanodroplets. Physical Chemistry Chemical Physics 25 (15), 10907–10916 (2023).

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Journal Article

Tesch, M.F., S. Neugebauer, P.V. Narangoda, R. Schlögl and A.K. Mechler: The rotating disc electrode: measurement protocols and reproducibility in the evaluation of catalysts for the oxygen evolution reaction. Energy Advances 2 (11), 1823–1830 (2023).

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Journal Article

Thurner, C.W., L. Haug, D. Winkler, C. Griesser, M. Leitner, T. Moser, D. Werner, M. Thaler, L.A. Scheibel, T. Götsch, E. Carbonio, J. Kunze-Liebhäuser, E. Portenkirchner, S. Penner and B. Klötzer: Electrocatalytic enhancement of CO methanation at the metal-electrolyte interface studied by in situ X-ray photoelectron spectroscopy. C - Journal of Carbon Research 9 (4), 106 (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

Trinh, C., Y. Wei, A. Yadav, M. Muske, N. Grimm, Z. Li, L. Thum, D. Wallacher, R. Schlögl, K. Skorupska, R. Schlatmann and D. Amkreutz: Reactor design for thin film catalyst activity characterization. Chemical Engineering Journal 477, 146926 (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

Vela-Peréz, I., F. Ota, A. Mhamdi, Y. Tamura, J. Rist, N. Melzer, S. Uerken, G. Nalin, N. Anders, D. You, M. Kircher, C. Janke, M. Waitz, F. Trinter, R. Guillemin, M.N. Piancastelli, M. Simon, V.T. Davis, J.B. Williams, R. Dörner, K. Hatada, K. Yamazaki, K. Fehre, P.V. Demekhin, K. Ueda, M.S. Schöffler and T. Jahnke: High-energy molecular-frame photoelectron angular distributions: a molecular bond-length ruler. Physical Chemistry Chemical Physics 25 (19), 13784–13791 (2023).

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Velasco Vélez, J., J. Poon, D. Gao, C.-H. Chuang, A. Bergmann, T. Jones, S.-C. Haw, J.-M. Chen, E. Carbonio, R. Mom, D. Ivanov, R. Arrigo, B. Roldan Cuenya, A. Knop-Gericke and R. Schlögl: Cationic Copper Species Stabilized by Zinc during the Electrocatalytic Reduction of CO₂ Revealed by In Situ X-Ray Spectroscopy. Advanced Sustainable Systems 7 (5), 2200453 (2023).

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Journal Article

Vinogradova, O.V., K. Reuter and V.J. Bukas: Trends of Pd₃Au(111) Alloy Surface Segregation in Oxygen, Carbon, and Nitrogen Environments. The Journal of Physical Chemistry C 127 (45), 22060–22066 (2023).

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Vondrák, M., K. Reuter and J. Margraf: q-pac: A Python package for machine learned charge equilibration models. The Journal of Chemical Physics 159 (5), 054109 (2023).

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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 11 (15), 8066–8080 (2023).

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Journal Article

Windeck, H., F. Berger and J. Sauer: Spectroscopic Signatures of Internal Hydrogen Bonds of Brønsted-Acid Sites in the Zeolite H-MFI. Angewandte Chemie International Edition 62 (25), e202303204 (2023).

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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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Wright, S., M. Doppelbauer, S. Hofsäss, H.C. Schewe, B.G. Sartakov, G. Meijer and S. Truppe: Cryogenic Buffer Gas beams of AlF, CaF, MgF, YbF, Al, Ca, Yb and NO - a comparison. Molecular Physics 121 (17-18), e2146541 (2023).

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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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Yang, F., M. Lopez-Luna, F. Haase, D. Escalera Lopez, A. Yoon, A. Kosari, M. Porcu, A. Bergmann, B. Roldan Cuenya and S.W. Chee: Tracking the Incorporation of Fe into NiO Electrocatalysts during Reaction with Liquid Phase Electron Microscopy and Time-Resolved Elemental Mapping. Microscopy and Microanalysis 29 (Suppl 1), 1302–1303 (2023).

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Yang, F., M. Lopez-Luna, F. Haase, D. Escalera Lopez, A. Yoon, M. Rüscher, C. Rettenmaier, H. Jeon, E. Ortega, J. Timoshenko, A. Bergmann, S.W. Chee and B. Roldan Cuenya: Spatially and Chemically Resolved Visualization of Fe Incorporation into NiO Octahedra during the Oxygen Evolution Reaction. Journal of the American Chemical Society 145 (39), 21465–21474 (2023).

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Journal Article

Yoo, S.-H., L.S. Aota, S. Shin, A.A. El-Zoka, P.W. Kang, Y. Lee, H. Lee, S.-H. Kim and B. Gault: Dopant Evolution in Electrocatalysts after Hydrogen Oxidation Reaction in an Alkaline Environment. ACS Energy Letters 8 (8), 3381–3386 (2023).

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Journal Article

Yubero Valdivielso, D., C. Kerpal, W. Schöllkopf, G. Meijer and A. Fielicke: IR spectra and structures of saturated ruthenium cluster carbonyl cations Ru_n(CO)_m⁺ (n=1-6). Dalton Transactions 52 (29), 9929–9939 (2023).

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