Publications

Journal Article

de Luna, G.S., P. Zeller, E. Öztuna, F. Maluta, A. Canciani, F. Ospitali, P.H. Ho, A. Paglianti, A. Knop-Gericke, G. Fornasari, J. Velasco Vélez and P. Benito: In Situ Development of a 3D Cu-CeO₂ Catalyst Selective in the Electrocatalytic Hydrogenation of Biomass Furanic Compounds. ACS Catalysis 13 (19), 12737–12745 (2023).

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Dean, J., M. Scheffler, T. Purcell, S.V. Barabash, R. Bhowmik and T. Bazhirov: Interpretable Machine Learning for Materials Design. Journal of Materials Research 38 (20), 4477–4496 (2023).

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Deka, N., T.E. Jones, L.J. Falling, L. Sandoval Diaz, T. Lunkenbein, J.-J. Velasco-Velez, T.-S. Chan, C.-H. Chuang, A. Knop-Gericke and R.V. Mom: On the Operando Structure of Ruthenium Oxides during the Oxygen Evolution Reaction in Acidic Media. ACS Catalysis 13 (11), 7488–7498 (2023).

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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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Diego, G., M.D. Higham, M.G. Quesne, M. Aramini, R. Xu, A.I. Large, G. Held, J. Velasco Vélez, M. Hävecker, A. Knop-Gericke, C. Genovese, C. Ampelli, M.E. Schuster, S. Perathoner, G. Centi, C.R.A. Catlow and R. Arrigo: Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO₂ over C-Supported Cu-Based Systems. ACS Catalysis 13 (9), 5876–5895 (2023).

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Dong, S., S. Beaulieu, M. Selig, P. Rosenzweig, D. Christiansen, T. Pincelli, M.R. Dendzik, J.D. Ziegler, J. Maklar, R.P. Xian, A. Neef, A. Mohammed, A. Schulz, M. Stadler, M. Jetter, P. Michler, T. Taniguchi, K. Watanabe, H. Takagi, U. Starke, A. Chernikov, M. Wolf, H. Nakamura, A. Knorr, L. Rettig and R. Ernstorfer: Observation of ultrafast interfacial Meitner-Auger energy transfer in a van der Waals heterostructure. Nature Communications 14, 5057 (2023).

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Dortaj, S. and S. Matera: Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs-von Mises distance. The Journal of Chemical Physics 159 (9), 094110 (2023).

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Dudzinski, A.M., A. Dudzinski, E. Diesen, H. Heenen, V.J. Bukas and K. Reuter: First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O₂ Adsorption at the Electrified Metal/Water Interface. ACS Catalysis 13 (18), 12074–12081 (2023).

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Dupuy, R., J. Filser, C. Richter, T. Buttersack, F. Trinter, S. Gholami, R. Seidel, C. Nicolas, J. Bozek, D. Egger, H. Oberhofer, S. Thürmer, U. Hergenhahn, K. Reuter, B. Winter and H. Bluhm: Ångstrom-Depth Resolution with Chemical Specificity at the Liquid-Vapor Interface. Physical Review Letters 130 (15), 156901 (2023).

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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: Correction: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 25 (33), 22538–22538 (2023).

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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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Eggert, T., N. Hörmann and K. Reuter: Cavity formation at metal-water interfaces. The Journal of Chemical Physics 159 (19), 194702 (2023).

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Esquius, J.R., D.J. Morgan, G. Algara-Siller, D. Gianolio, M. Aramini, L. Lahn, O. Kasian, S.A. Kondrat, R. Schlögl, G.J. Hutchings, R. Arrigo and S.J. Freakley: Lithium-Directed Transformation of Amorphous Iridium (Oxy)hydroxides To Produce Active Water Oxidation Catalysts. Journal of the American Chemical Society 145 (11), 6398–6409 (2023).

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Fang, L., C. Chen, X. Lu and W. Ren: Effects of pressure and temperature on topological electronic materials X₂Y₃ (X = As, Sb, Bi; Y = Se, Te) using first-principles. Physical Chemistry Chemical Physics 25 (31), 20969–20978 (2023).

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Fellows, A.P., V. Balos, B. John, A. Diaz Duque, M. Wolf and M. Thämer: Obtaining extended insight into molecular systems by probing multiple pathways in second-order nonlinear spectroscopy. The Journal of Chemical Physics 159 (16), 164201 (2023).

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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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Fielicke, A.: Probing the binding and activation of small molecules by gas-phase transition metal clusters via IR spectroscopy. Chemical Society Reviews 52 (11), 3778–3841 (2023).

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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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Frenzel, M., M. Cherasse, J. Urban, F. Wang, B. Xiang, L. Nest, L. Huber, L. Perfetti, M. Wolf, T. Kampfrath, X.-Y. Zhu and S.F. Maehrlein: Nonlinear terahertz control of the lead halide perovskite lattice. Science Advances 9 (21), eadg3856 (2023).

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Full

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Freund, H.-J.: Buchbesprechung: Gerhardt Ertl: Mein Leben mit der Wissenschaft. Bunsen-Magazin 2023 (3), 93–94 (2023).

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Friedrich, B.: A century ago the Stern-Gerlach experiment ruled unequivocally in favor of Quantum Mechanics. Israel Journal of Chemistry 63 (7-8), e202300047 (2023).

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Friedrich, B., D. Kleppner and D. Herschbach: About Roy Glauber. Natural Sciences e20220064 (2023).

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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 63 (7-8), e202300005 (2023).

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Gelžinytė, E., S. Wengert, T.K. Stenczel, H. Heenen, K. Reuter, G. Csányi and N. Bernstein: wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows. The Journal of Chemical Physics 159 (12), 124801 (2023).

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Ghan, S., E. Diesen, C. Kunkel, K. Reuter and H. Oberhofer: Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns–Anderson chemisorption function. The Journal of Chemical Physics 158 (23), 234103 (2023).

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Journal Article

Glatthaar, R., F. Schmidt, A. Hammud, T. Lunkenbein, T. Okker, F. Huster, S. Seren, B.C. Greven, G. Hahn and B. Terheiden: Silver Metallization with Controlled Etch Stop Using SiO_x Layers in Passivating Contacts for Improved Silicon Solar Cell Performance. Solar RRL 7 (21), 2300491 (2023).

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Journal Article

Gopakumar, G., I. Unger, P. Slavíček, U. Hergenhahn, G. Öhrwall, S. Malerz, D. Céolin, F. Trinter, B. Winter, I. Wilkinson, C. Caleman, O. Muchová and E. Björneholm: Radiation damage by extensive local water ionization from two-step electron-transfer-mediated decay of solvated ions. Nature Chemistry 15 (10), 1408–1414 (2023).

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Journal Article

Götze, M., L. Polewski, L. Bechtella and K. Pagel: A 3D-Printed Offline Nano-ESI Source for Bruker MS Instruments. Journal of the American Society for Mass Spectrometry 34 (10), 2403–2406 (2023).

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Greis, K., C.E. Griesbach, C. Kirschbaum, G. Meijer, G.von Helden, K. Pagel and M.W. Peczuh: Characterization and Fate of a Septanosyl Ferrier Cation in the Gas and Solution Phases. The Journal of Organic Chemistry 88 (9), 5543–5553 (2023).

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Greis, K., C. Kirschbaum, K. Ober, M. Taccone, A.Y. Torres-Boy, G. Meijer, K. Pagel and G.von Helden: Infrared Spectroscopy of Fluorenyl Cations at Cryogenic Temperatures. The Journal of Physical Chemistry Letters 14 (50), 11313–11317 (2023).

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Guillemin, R., L. Inhester, M. Ilchen, T. Mazza, R. Boll, T. Weber, S. Eckart, P. Grychtol, N. Rennhack, T. Marchenko, N. Velasquez, O. Travnikova, I. Ismail, J. Niskanen, E. Kukk, F. Trinter, M. Gisselbrecht, R. Feifel, G. Sansone, D. Rolles, M. Martins, M. Meyer, M. Simon, R. Santra, T. Pfeifer, T. Jahnke and M.N. Piancastelli: Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser. Structural Dynamics 10 (5), 054302 (2023).

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Journal Article

Gura, L., M. Brinker, P. Marschalik, F. Kalass, B. Junkes, H. Junkes, M. Heyde and H.-J. Freund: The real honeycomb structure-From the macroscopic down to the atomic scale. Journal of Applied Physics 133 (21), 215305 (2023).

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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 66 (15-16), 1073–1086 (2023).

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Journal Article

Haas, B., G. Radtke, S.C. Quillin, T.C. Lovejoy, N. Dellby, O.L. Krivanek, A. Hammud, T. Schröder and C.T. Koch: Mapping Phonon Dispersion Surfaces at Nanometer Scale. Microscopy and Microanalysis 29 (Suppl 1), 356–357 (2023).

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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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He, L., L. Tomaník, S. Malerz, F. Trinter, S. Trippel, M. Belina, P. Slavíček, B. Winter and J. Küpper: Specific versus Nonspecific Solvent Interactions of a Biomolecule in Water. The Journal of Physical Chemistry Letters 14 (46), 10499–10508 (2023).

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Journal Article

Hegen, O., J.I.S. Gomez, R. Schlögl and H. Ruland: The potential of NO⁺ and O₂^+• in switchable reagent ion Proton Transfer Reaction time-of-flight Mass Spectrometry. Mass Spectrometry Reviews 42 (5), 1688–1726 (2023).

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Henning, A., J.D. Bartl, L. Wolz, M. Christis, F. Rauh, M. Bissolo, T. Grünleitner, J. Eichhorn, P. Zeller, M. Amati, L. Gregoratti, J.J. Finley, B. Rieger, M. Stutzmann and I.D. Sharp: Spatially-Modulated Silicon Interface Energetics Via Hydrogen Plasma-Assisted Atomic Layer Deposition of Ultrathin Alumina. Advanced Materials Interfaces 10 (6), 2202166 (2023).

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Journal Article

Hergenhahn, U., J. Horn-Stanja, S. Nißl, H. Saitoh, M. Singer, T.S. Pedersen, C. Hugenschmidt and E.V. Stenson: Combined remoderation-drift scheme for positron injection into a magnetic trap. Physical Review Research 5 (2), 023172 (2023).

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Ho, C.J., S. Wright, B.E. Sauer and M.R. Tarbutt: Systematic errors arising from polarization imperfections in measurements of the electron's electric dipole moment. Physical Review Research 5 (4), 043233 (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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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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Huang, J., K. Kang, A. Schleife and P.Y. Huang: Electron Ptychography Simulations for Atomic-resolution Magnetic Imaging. Microscopy and Microanalysis 29 (Suppl 1), 282–283 (2023).

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Journal Article

Huart, L., M. Fournier, R. Dupuy, R. Vacheresse, M. Reinhardt, D. Cubaynes, D. Céolin, M.A.H. du Penhoat, J.P. Renault, J.-M. Guigner, A. Kumar, B. Lutet-Toti, J. Bozek, I. Ismail, L. Journel, P. Lablanquie, F. Penent, C. Nicolasa and J. Palaudoux: First (e,e) coincidence measurements on solvated sodium benzoate in water using a magnetic bottle time-of-flight spectrometer. Physical Chemistry Chemical Physics 25 (16), 11085–11092 (2023).

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Hund, S., O. Gómez-Cápiro, K. Dembélé, S. Berendts, T. Lunkenbein, H. Ruland, E.M. Heppke and M. Lerch: Fe₃Mo₃N: Crystal Structure, High-Temperature Behavior, and Catalytic Activity for Ammonia Decomposition. Zeitschrift für anorganische und allgemeine Chemie 649 (20), e202300152 (2023).

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Journal Article

Huss, T. and I.M. Dixon: Electronic Structure and Geometry of the Lowest ²LMCT State of Fe(III) Potential Fluorescent Emitters. Inorganic Chemistry 62 (10), 4284–4290 (2023).

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Ismail, I., A. Ferté, F. Penent, R. Guillemin, D. Peng, T. Marchenko, O. Travnikova, L. Inhester, R. Taïeb, A. Verma, N. Velasquez, E. Kukk, F. Trinter, D. Koulentianos, T. Mazza, T.M. Baumann, D.E. Rivas, Y. Ovcharenko, R. Boll, S. Dold, A.D. Fanis, M. Ilchen, M. Meyer, G. Goldsztejn, K. Li, G. Doumy, L. Young, G. Sansone, R. Dörner, M.N. Piancastelli, S. Carniato, J.D. Bozek, R. Püttner and M. Simon: Alternative Pathway to Double-Core-Hole States. Physical Review Letters 131 (25), 253201 (2023).

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Jaouen, T., A. Pulkkinen, M. Rumo, G. Kremer, B. Salzmann, C.W. Nicholson, M.-L. Mottas, E. Giannini, S. Tricot, P. Schieffer, B. Hildebrand and C. Monney: Carrier-Density Control of the Quantum-Confined 1T−TiSe₂ Charge Density Wave. Physical Review Letters 130 (22), 226401 (2023).

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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 10 (13), 2300099

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