Publications

Fritz Haber Institute of the Max Planck Society

Journal Article (8645)

2022

Journal Article

Credidio, B., M. Pugini, S. Malerz, F. Trinter, U. Hergenhahn, I. Wilkinson, S. Thürmer and B. Winter: Front cover: Quantitative electronic structure and work-function changes of liquid water induced by solute. Physical Chemistry Chemical Physics 24 (3), 1205–1205 (2022).

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Cretu, M.T., M. Mirahmadi and J. Pérez-Ríos: Ion-atom-atom three-body recombination in cold hydrogen and deuterium plasmas. Physical Review A 106 (2), 023316 (2022).

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Cui, W., Y. Xu, G. Luo, Q. Zhang and Z. Li: Simultaneous catalytic oxidation of nitric oxide and elemental mercury over Cu-Fe binary oxide treated by oxygen non-thermal plasma. Fuel 330, 123895 (2022).

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Daems, N., D. Choukroun, P. Merino, C. Rettenmaier, L. Pacquets, A. Bergmann, G. Santoro, L. Vázquez, L. Martínez, B. Roldan Cuenya, J.A. Martín Gago and T. Breugelmans: Steering Hydrocarbon Selectivity in CO₂ Electroreduction over Soft-Landed CuO_x Nanoparticle-Functionalized Gas Diffusion Electrodes. ACS Applied Materials and Interfaces 14 (2), 2691–2702 (2022).

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Dasgupta, A., S. Mahesh, P. Caprioglio, Y.-H. Lin, K.-A. Zaininger, R.D.J. Oliver, P. Holzhey, S. Zhou, M.M. McCarthy, J.A. Smith, M. Frenzel, M.G. Christoforo, J.M. Ball, B. Wenger and H.J. Snaith: Visualizing Macroscopic Inhomogeneities in Perovskite Solar Cells. ACS Energy Letters 7 (7), 2311–2322 (2022).

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Debnath, S., M. Jorewitz, K.R. Asmis, F. Müller, J. Stückrath, F.A. Bischoff and J. Sauer: Infrared Photodissociation Spectroscopy of (Al₂O₃)_2-5FeO⁺: Influence of Fe-Substitution on Small Alumina Clusters. Physical Chemistry Chemical Physics 24 (35), 20913–20920 (2022).

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Deimel, M., H. Prats, M. Seibt, K. Reuter and M. Andersen: Selectivity Trends and Role of Adsorbate-Adsorbate Interactions in CO Hydrogenation on Rhodium Catalysts. ACS Catalysis 12 (13), 7907–7917 (2022).

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Doppelbauer, M., S. Wright, S. Hofsäss, B.G. Sartakov, G. Meijer and S. Truppe: Hyperfine resolved optical spectroscopy of the A²Π ←X²Σ⁺ transition in MgF. The Journal of Chemical Physics 156 (13), 134301 (2022).

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Dupuy, R., J. Filser, C. Richter, R. Seidel, F. Trinter, T. Buttersack, C. Nicolas, J. Bozek, U. Hergenhahn, H. Oberhofer, B. Winter, K. Reuter and H. Bluhm: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 24 (8), 4796–4808 (2022).

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Fehre, K., N.M. Novikovskiy, S. Grundmann, G. Kastirke, S. Eckart, F. Trinter, J. Rist, A. Hartung, D. Trabert, C. Janke, M. Pitzer, S. Zeller, F. Wiegandt, M. Weller, M. Kircher, G. Nalin, M. Hofmann, L.P.H. Schmidt, A. Knie, A. Hans, L.B. Ltaief, A. Ehresmann, R. Berger, H. Fukuzawa, K. Ueda, H. Schmidt-Böcking, J.B. Williams, T. Jahnke, R. Dörner, P.V. Demekhin and M.S. Schöffler: A new route for enantio-sensitive structure determination by photoelectron scattering on molecules in the gas phase. Physical Chemistry Chemical Physics 24 (43), 26458–26465 (2022).

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Fehre, K., F. Trinter, N.M. Novikovskiy, S. Grundmann, D. Tsitsonis, S. Eckart, L. Bauer, M. Hilzinger, T. Jahnke, R. Dörner, P.V. Demekhin and M.S. Schöffler: Influence of the emission site on the photoelectron circular dichroism in trifluoromethyloxirane. Physical Chemistry Chemical Physics 24 (22), 13597–13604 (2022).

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Felsen, F., K. Reuter and C. Scheurer: A model-free sparse approximation approach to robust formal reaction kinetics. Chemical Engineering Journal 433 (1), 134121 (2022).

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Filser, J., K. Reuter and H. Oberhofer: Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes. Journal of Chemical Theory and Computation 18 (1), 461–478 (2022).

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Folke, J., K. Dembélé, F. Girgsdies, H. Song, R. Eckert, S. Reitmeier, A. Reitzmann, R. Schlögl, T. Lunkenbein and H. Ruland: Promoter effect on the reduction behavior of wuestite-based catalysts for ammonia synthesis. Catalysis Today 387, 12–22 (2022).

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Foppa, L. and L.M. Ghiringhelli: Identifying Outstanding Transition‑Metal‑Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis 65 (1-4), 196–206 (2022).

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Foppa, L. and L.M. Ghiringhelli: Correction to: Identifying Outstanding Transition-Metal-Alloy Heterogeneous Catalysts for the Oxygen Reduction and Evolution Reactions via Subgroup Discovery. Topics in Catalysis 65 (1-4), 207–207 (2022).

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Foppa, L., T. Purcell, S.V. Levchenko, M. Scheffler and L.M. Ghiringhelli: Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites. Physical Review Letters 129 (5), 0545301 (2022).

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Foppa, L., C.A. Sutton, L.M. Ghiringhelli, S. De, P. Löser, S.A. Schunk, A. Schäfer and M. Scheffler: Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence. ACS Catalysis 12 (4), 2233–2232 (2022).

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Friedrich, B.: Electro-optical trap for polar molecules. Physical Review A 105 (5), 053126 (2022).

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Gao, H., V. Belova, F. La Porta, J.S. Cingolani, M. Andersen, M. Saedi, O.V. Konovalov, M. Jankowski, H. Heenen, I.M.N. Groot, G. Renaud and K. Reuter: Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height. Advanced Science 9 (36), 2204684 (2022).

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Ghafari, A., W. Khan and C. Janowitz: Electronic structure and engineered thermoelectric properties of SnSe. Physica B 630, 413668 (2022).

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Ghampson, I.T., S.-T.B. Lundin, V. Vargheese, Y. Kobayashi, G. Huff, R. Schlögl, A. Trunschke and S.T. Oyama: Methane selective oxidation on metal oxide catalysts at low temperatures with O₂ using an NO/NO₂ oxygen atom shuttle. Journal of Catalysis 408, 401–412 (2022).

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supplementary-material

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Gierster, L., S. Vempati and J. Stähler: Ultrashort and metastable doping of the ZnO surface by photoexcited defects. Faraday Discussions 237, 58–79 (2022).

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Giorgianni, F., M. Burian, N. Gurung, M. Kubli, V. Esposito, U. Staub, P. Beaud, S.L. Johnson, Y.W. Windsor, L. Rettig, D. Ozerov, H. Lemke, S. Saha, F. Pressacco, S.P. Collins, T. Togashi, T. Katayama, S. Owada, M. Yabashi, K. Yamaura, Y. Tanaka and V. Scagnoli: Melting of magnetic order in NaOsO₃ by femtosecond laser pulses. Physical Review B 105 (15), 155147 (2022).

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Giusto, P., D. Cruz, Y. Rodriguez, R. Rothe and N.V. Tarakina: Red Carbon Thin Film: A Carbon-Oxygen Semiconductor with Tunable Properties by Amine Vapors and Its Carbonization toward Carbon Thin Films. Advanced Materials Interfaces 9 (21), 2200834 (2022).

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Giusto, P., B. Kumru, D. Cruz and M. Antonietti: Optical Anisotropy of Carbon Nitride Thin Films and Photografted Polystyrene Brushes. Advanced Optical Materials 10 (4), 2101965 (2022).

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Gladich, I., S. Chen, H. Yang, A. Boucly, B. Winter, J.A. van Bokhoven, M. Ammann and L. Artiglia: Liquid-Gas Interface of Iron Aqueous Solutions and Fenton Reagents. The Journal of Physical Chemistry Letters 13 (13), 2994–3001 (2022).

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Gladich, I., S. Chen, H. Yang, A. Boucly, B. Winter, J.A. van Bokhoven, M. Ammann and L. Artiglia: Reply to “Comment on ‘Liquid-Gas Interface of Iron Aqueous Solutions and Fenton Reagents.’” The Journal of Physical Chemistry Letters 13 (29), 6681–6682 (2022).

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Gopakumar, G., E. Muchová, I. Unger, S. Malerz, F. Trinter, G. Öhrwall, F. Lipparini, B. Mennucci, D. Céolin, C. Caleman, I. Wilkinson, B. Winter, P. Slavíček, U. Hergenhahn and O. Björneholm: Probing aqueous ions with non-local Auger relaxation. Physical Chemistry Chemical Physics 24 (15), 8661–8671 (2022).

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Govindarajan, N., G. Kastlunger, H. Heenen and K. Chan: Improving the intrinsic activity of electrocatalysts for sustainable energy conversion: where are we and where can we go? Chemical Science 13 (1), 14–26 (2022).

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Grabarics, M., M. Lettow, C. Kirschbaum, K. Greis, C. Manz and K. Pagel: Mass Spectrometry-Based Techniques to Elucidate the Sugar Code. Chemical Reviews 122 (8), 7840–7908 (2022).

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Greis, K., C. Kirschbaum, G. Fittolani, E. Mucha, R. Chang, G.von Helden, G. Meijer, M. Delbianco, P.H. Seeberger and K. Pagel: Neighboring Group Participation of Benzoyl Protecting Groups in C3- and C6-Fluorinated Glucose. European Journal of Organic Chemistry 2022 (15), e202200255 (2022).

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Greis, K., C. Kirschbaum, G.von Helden and K. Pagel: Gas-phase infrared spectroscopy of glycans and glycoconjugates. Current Opinion in Structural Biology 72, 194–202 (2022).

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Greis, K., C. Kirschbaum, M. Taccone, M. Götze, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden and K. Pagel: Studying the Key Intermediate of RNA Autohydrolysis by Cryogenic Gas-Phase Infrared Spectroscopy. Angewandte Chemie International Edition 61 (19), e202115481 (2022).

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Greis, K., C. Kirschbaum, M. Taccone, M. Götze, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden and K. Pagel: Untersuchung des reaktiven Intermediats der RNA Autohydrolyse mittels kryogener Infrarotspektroskopie in der Gasphase. Angewandte Chemie 134 (19), e202115481 (2022).

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Greis, K., S. Leichnitz, C. Kirschbaum, C.-W. Chang, M.-H. Lin, G. Meijer, G.von Helden, P.H. Seeberger and K. Pagel: The Influence of the Electron Density in Acyl Protecting Groups on the Selectivity of Galactose Formation. Journal of the American Chemical Society 144 (44), 20258–20266 (2022).

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Grundmann, S., F. Trinter, Y.-K. Fang, K. Fehre, N. Strenger, A. Pier, L. Kaiser, M. Kircher, L.-Y. Peng, T. Jahnke, R. Dörner and M.S. Schöffler: Quasifree Photoionization under the Reaction Microscope. Atoms 10 (3), 68 (2022).

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Grünleitner, T., A. Henning, M. Bissolo, M. Zengerle, L. Gregoratti, M. Amati, P. Zeller, J. Eichhorn, A.V. Stier, A.W. Holleitner, J.J. Finley and I.D. Sharp: Real-Time Investigation of Sulfur Vacancy Generation and Passivation in Monolayer Molybdenum Disulfide via in situ X-ray Photoelectron Spectromicroscopy. ACS Nano 16 (12), 20364–20375 (2022).

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Gückstock, O., R.L. Seeger, T. Seifert, S. Auffret, S. Gambarelli, J.N. Kirchhof, K.I. Bolotin, V. Baltz, T. Kampfrath and L. Nádvorník: Impact of gigahertz and terahertz transport regimes on spin propagation and conversion in the antiferromagnet IrMn. Applied Physics Letters 120 (6), 062408 (2022).

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Gura, L., Z. Yang, J. Paier, F. Kalass, M. Brinker, M. Heyde and H.-J. Freund: Resolving atomic diffusion in Ru(0001)-O(2×2) with spiral high-speed scanning tunneling microscopy. Physical Review B 105 (3), 035411 (2022).

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Gura, L., Z. Yang, J. Paier, F. Kalass, M. Brinker, H. Junkes, M. Heyde and H.-J. Freund: Dynamics in the O(2 × 1) adlayer on Ru(0001): bridging timescales from milliseconds to minutes by scanning tunneling microscopy. Physical Chemistry Chemical Physics 24 (25), 15265–15270 (2022).

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Haase, F., A. Bergmann, T. Jones, J. Timoshenko, A. Herzog, H. Jeon, C. Rettenmaier and B. Roldan Cuenya: Size effects and active state formation of cobalt oxide nanoparticles during the oxygen evolution reaction. Nature Energy 7 (8), 765–773 (2022).

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Haase, F., A. Rabe, F. Schmidt, A. Herzog, H. Jeon, W. Frandsen, P.V. Narangoda, I. Spanos, K.F. Ortega, J. Timoshenko, T. Lunkenbein, M. Behrens, A. Bergmann, R. Schlögl and B. Roldan Cuenya: Role of Nanoscale Inhomogeneities in Co₂FeO₄ Catalysts during the Oxygen Evolution Reaction. Journal of the American Chemical Society 144 (27), 12007–12019 (2022).

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Hamilton, C. and J. Pérez-Ríos: Classical-quantum localization in one dimensional systems: The kicked rotor. AIP Advances 12 (3), 035040 (2022).

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Hauser, D., C. Grießer, E.-M. Wernig, T. Götsch, J. Bernardi, J. Kunze-Liebhäuser and S. Penner: The pervasive presence of oxygen in ZrC. Surfaces and Interfaces 34, 102373 (2022).

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He, M., T.G. Folland, J. Duan, P. Alonso-González, S.D. Liberato, A. Paarmann and J.D. Caldwell: Anisotropy and Modal Hybridization in Infrared Nanophotonics Using Low-Symmetry Materials. ACS Photonics 9 (4), 1078–1095 (2022).

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He, T. and K.S. Exner: Computational electrochemistry focusing on nanostructured catalysts: challenges and opportunities. Materials Today Energy 28, 101083 (2022).

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He, T., A.R. Puente-Santiago, S. Xia, M.A. Ahsan, G. Xu and R. Luque: Experimental and Theoretical Advances on Single Atom and Atomic Cluster-Decorated Low-Dimensional Platforms towards Superior Electrocatalysts. Advanced Energy Materials 12 (22), 2200493 (2022).

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He, T., A.R.P. Santiago, Y. Kong, M.A. Ahsan, R. Luque, A. Du and H. Pan: Atomically Dispersed Heteronuclear Dual-Atom Catalysts: A New Rising Star in Atomic Catalysis. Small 18 (12), 2106091 (2022).

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Heenen, H., H. Shin, G. Kastlunger, S. Overa, J.A. Gauthier, F. Jiao and K. Chan: The mechanism for acetate formation in electrochemical CO₍₂₎ reduction on Cu: selectivity with potential, pH, and nanostructuring. Energy & Environmental Science 15 (9), 3978–3990 (2022).

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