Publications by the Fritz Haber Institute (2001-)

Journal Article (8081)

2023
Journal Article
Abou-Ras, D., U. Bloeck, S. Caicedo-Dávila, A. Eljarrat, H. Funk, A. Hammud, S. Thomas, D.R. Wargulski, T. Lunkenbein and C.T. Koch: Correlative microscopy and monitoring of segregation processes in optoelectronic semiconductor materials and devices. Journal of Applied Physics 133 (12), 121101 (2023).
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Abramiuc, L.E., L.C. Tanase, M. Prieto, L.de S. Caldas, A. Tiwari, N.G. Apostol, M.A. Huşanu, C.F. Chirilă, L. Trupină, T. Schmidt, L. Pintilie and C.M. Teodorescu: Surface charge dynamics on air-exposed ferroelectric Pb(Zr,Ti)O3(001) thin films. Nanoscale 15 (31), 13062–13075 (2023).
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Akkoush, A., Y. Litman and M. Rossi: A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers. Physica Status Solidi A 2300180 (2023).
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Ali, H., B. Winter and R. Seidel: The Metal-Oxide Nanoparticle-Aqueous Solution Interface Studied by Liquid-Microjet Photoemission. Accounts of Chemical Research 56 (13), 1687–1697 (2023).
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Angel, S., M. Braun, B. Alkan, J. Landers, S. Salamon, H. Wende, C. Andronescu, C. Schulz and H. Wiggers: Spray-Flame Synthesis of LaFexCo1-xO3 (x = 0.2, 0.3) Perovskite Nanoparticles for Oxygen Evolution Reaction in Water Splitting: Effect of Precursor Chemistry (Acetates and Nitrates). The Journal of Physical Chemistry A 127 (11), 2564–2576 (2023).
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Anníes, S., C. Scheurer and C. Panosetti: The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 444, 141966 (2023).
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Balos, V., M. Wolf, S. Kovalev and M. Sajadi: Optical rectification and electro-optic sampling in quartz. Optics Express 31 (8), 13317 (2023).
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Bechtella, L. and K. Pagel: A butterfly effect: From a single nucleotide to altered immunity. Chem 9 (3), 554–556 (2023).
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Beynon, O.T., A. Owens, C. Carbogno and A.J. Logsdail: Evaluating the Role of Anharmonic Vibrations in Zeolite β Materials. The Journal of Physical Chemistry C, in press.
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Buttersack, T., H. Haak, H. Bluhm, U. Hergenhahn, G. Meijer and B. Winter: Imaging temperature and thickness of thin planar liquid water jets in vacuum. Structural Dynamics 10 (3), 034901 (2023).
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Calati, S., Q. Li, X. Zhu and J. Stähler: Dynamic screening of quasiparticles in WS2 monolayers. Physical Review B 107 (11), 115404 (2023).
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Carbonio, E., F. Sulzmann, A. Klyushin, M. Hävecker, S. Piccinin, A. Knop-Gericke, R. Schlögl and T. Jones: Adjusting the Chemical Reactivity of Oxygen for Propylene Epoxidation on Silver by Rational Design: The Use of an Oxyanion and Cl. ACS Catalysis 13 (9), 5906–5913 (2023).
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Chen, K., C. Kunkel, B. Cheng, K. Reuter and J. Margraf: Physics-inspired machine learning of localized intensive properties. Chemical Science 14 (18), 4913–4922 (2023).
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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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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 62 (10), e202215728 (2023).
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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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Davis, E., A. Bergmann, C. Zhan, H. Kuhlenbeck and B. Roldan Cuenya: Comparative study of Co3O4(111), CoFe2O4(111), and Fe3O4(111) thin film electrocatalysts for the oxygen evolution reaction. Nature Communications 14, 4791 (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).
Journal Article
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., 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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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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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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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 e202300005 (2023).
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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, in press.
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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, in press.
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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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Grigorev, P., L. Frérot, F. Birks, A. Gola, J. Golebiowski, J. Grießer, J.L. Hörmann, A. Klemenz, G. Moras, W.G. Nöhring, J.A. Oldenstaedt, P. Patel, T. Reichenbach, L. Shenoy, M. Walter, S. Wengert, J.R. Kermode and L. Pastewka: matscipy: materials science at the atomic scale with Python. The Journal of Open Source Software (JOSS) 5668
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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, in press.
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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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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).
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).
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).
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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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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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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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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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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Jung, H., L. Sauerland, S. Stocker, K. Reuter and J. Margraf: Machine-learning driven global optimization of surface adsorbate geometries. npj Computational Materials 9, 114 (2023).
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Kastlunger, G., H. Heenen and N. Govindarajan: Combining First-Principles Kinetics and Experimental Data to Establish Guidelines for Product Selectivity in Electrochemical CO2 Reduction. ACS Catalysis 13 (7), 5062–5072 (2023).
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