Zeitschriftenartikel (8368)
2023
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Dortaj, S. und 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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, A. Dudzinski, E. Diesen, H. Heenen, V.J. Bukas und 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, , , , D. Egger, , , U. Hergenhahn, K. Reuter, B. Winter und 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., , C. Richter, , F. Trinter, T. Buttersack, , , U. Hergenhahn, , B. Winter, K. Reuter und 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., , C. Richter, T. Buttersack, F. Trinter, B. Winter und 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 und K. Reuter: Cavity formation at metal-water interfaces. The Journal of Chemical Physics 159 (19), 194702 (2023).
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, , G. Algara-Siller, , , , , , R. Schlögl, , und : 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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, C. Chen, und : 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 und 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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, und 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., , , G. Koch, F. Girgsdies, P. Kube, S. Carey, M. Hävecker, O. Timpe, A. Tarasov, M. Scheffler, , R. Schlögl und 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, , , L. Nest, , , M. Wolf, T. Kampfrath, und S.F. Maehrlein: Nonlinear terahertz control of the lead halide perovskite lattice. Science Advances 9 (21), eadg3856 (2023).
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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., und : About Roy Glauber. Natural Sciences e20220064 (2023).
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Fuhrich, A., J. Paier, , A. Lewandowski, L. Gura, W.-D. Schneider, und 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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, S. Wengert, , H. Heenen, K. Reuter, und : wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows. The Journal of Chemical Physics 159 (12), 124801 (2023).
Zeitschriftenartikel
, F. Schmidt, A. Hammud, T. Lunkenbein, , , , , und : Silver Metallization with Controlled Etch Stop Using SiOx Layers in Passivating Contacts for Improved Silicon Solar Cell Performance. Solar RRL 7 (21), 2300491 (2023).
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, , , U. Hergenhahn, , S. Malerz, , F. Trinter, B. Winter, , , und : 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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Götze, M., L. Polewski, L. Bechtella und 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. Kirschbaum, G. Meijer, G.von Helden, K. Pagel und : 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 und 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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, , , , , , , , , , , , , , , F. Trinter, , , , , , , , , , und : 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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Gura, L., M. Brinker, P. Marschalik, F. Kalass, , H. Junkes, M. Heyde und 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., , J. Paier, und 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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, , , , , , A. Hammud, und : Mapping Phonon Dispersion Surfaces at Nanometer Scale. Microscopy and Microanalysis 29 (Suppl 1), 356–357 (2023).
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, F. Trinter, , , , , , , , , , , C. Richter, , , , , , , , U. Hergenhahn, , , , und : 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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, , S. Malerz, F. Trinter, , , , B. Winter und : 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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, , R. Schlögl und : 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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, , , , , , , , P. Zeller, , , , , und : 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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Hergenhahn, U., , , , , , und : Combined remoderation-drift scheme for positron injection into a magnetic trap. Physical Review Research 5 (2), 023172 (2023).
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, S. Wright, und : 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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Hofsäss, S., E. Padilla, S. Wright, S. Kray, R. Thomas, B.G. Sartakov, , G. Meijer und S. Truppe: High-resolution isotope-shift spectroscopy of Cd I. Physical Review Research 5 (1), 013043 (2023).
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, , , , , , , , , , , , A. Paarmann, , und : Real-space nanoimaging of hyperbolic shear polaritons in a monoclinic crystal. Nature Nanotechnology 18 (1), 64–70 (2023).
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, K. Kang, und : Electron Ptychography Simulations for Atomic-resolution Magnetic Imaging. Microscopy and Microanalysis 29 (Suppl 1), 282–283 (2023).
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, , R. Dupuy, , , , , , , , , , , , , , , und : 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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, , K. Dembélé, , T. Lunkenbein, , und : Fe3Mo3N: Crystal Structure, High-Temperature Behavior, and Catalytic Activity for Ammonia Decomposition. Zeitschrift für anorganische und allgemeine Chemie 649 (20), e202300152 (2023).
Zeitschriftenartikel
Huss, T. und : 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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, , , , , , , , , , , , F. Trinter, , , , , , , , , , , , , , , , , , , , und : Alternative Pathway to Double-Core-Hole States. Physical Review Letters 131 (25), 253201 (2023).
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, , , , , C.W. Nicholson, , , , , und : Carrier-Density Control of the Quantum-Confined 1T−TiSe2 Charge Density Wave. Physical Review Letters 130 (22), 226401 (2023).
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, , , , , D. Cruz, , , , , und : 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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, , , , und 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 und J. Margraf: Machine-learning driven global optimization of surface adsorbate geometries. npj Computational Materials 9, 114 (2023).
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, H. Heenen und : 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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, , , , , , , , , F. Trinter, und : Interatomic Coulombic decay in small helium clusters. Physical Chemistry Chemical Physics 25 (37), 25711–25719 (2023).
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Khan, T., B. John, R. Niemann, A. Paarmann, M. Wolf und M. Thämer: Compact oblique-incidence nonlinear widefield microscopy with paired-pixel balanced imaging. Optics Express 31 (18), 28792–28804 (2023).
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Kirschbaum, C. und K. Pagel: Lipid Analysis by Mass Spectrometry coupled with Laser Light. Analysis & Sensing 3 (6), e202200103 (2023).
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Kirschbaum, C., , K. Greis, , S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden, , , , und K. Pagel: Establishing carbon-carbon double bond position and configuration in unsaturated fatty acids by gas-phase infrared spectroscopy. Chemical Science 14 (10), 2518–2527 (2023).