Journal Article (300)
2022
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, , , R. Schlögl and : A Gas Generating System for Complex Gas Mixtures – Multifunctional Application in PTR Method Optimization and Downstream Methanol Synthesis. Chemie-Ingenieur-Technik 94 (10), 1438–1451 (2022).
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Prieto, M., , W. Wan, L.C. Tanase, L.de S. Caldas, S.K. Shaikhutdinov, , , T. Schmidt and B. Roldan Cuenya: Plasma Functionalization of Silica Bilayer Polymorphs. ACS Applied Materials and Interfaces 14 (43), 48609–48618 (2022).
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Puppin, M., , , , R.P. Xian, J. Feldl, S. Dong, , , , M. Wolf, L. Rettig and R. Ernstorfer: Excited-state band structure mapping. Physical Review B 105 (7), 075417 (2022).
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Purcell, T., M. Scheffler, C. Carbogno and L.M. Ghiringhelli: SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparisifying Operator Approach. The Journal of Open Source Software 7 (71), 3960 (2022).
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, , Z.-K. Han and : High-Throughput Screening of Stable Single-Atom Catalysts in CO2 Reduction Reactions. ACS Catalysis 12 (14), 8269–8278 (2022).
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Qi, Y., , T. Vasileiadis, D. Zahn, H. Seiler, and R. Ernstorfer: Photoinduced ultrafast transition of the correlated local structure in chalcogenide phase-change materials. Physical Review Letters 129 (13), 135701 (2022).
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Qi, Y., , D. Zahn, T. Vasileiadis, H. Seiler, Y.W. Windsor, , and R. Ernstorfer: Traversing Double-Well Potential Energy Surfaces: Photoinduced Concurrent Intralayer and Interlayer Structural Transitions in XTe2 (X = Mo, W). ACS Nano 16 (7), 11124–11135 (2022).
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Regler, B., M. Scheffler and L.M. Ghiringhelli: TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions. Data Mining and Knowledge Discovery (5), 1815–1864 (2022).
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, , , , M. Plodinec, C. Rohner, T. Lunkenbein, , and : SnBrP-A SnIP-type representative in the Sn-Br-P system. Zeitschrift für anorganische und allgemeine Chemie 648 (10), e202100347 (2022).
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, , , , , , , , , , F. Trinter, , , and : Observation of Nondipole-Induced Asymmetry in the Angular Emission Distribution of Photoelectrons from Fixed-in-Space CO Molecules. Physical Review Letters 129 (25), 253201 (2022).
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, , , , F.E. Feiten, J. Pal, E. Emmez, S.K. Shaikhutdinov, H. Kuhlenbeck, and H.-J. Freund: Electron-Stimulated Hydroxylation of Silica Bilayer Films Grown on Ru(0001): A Combined HREELS and EPR Study. The Journal of Physical Chemistry C 126 (18), 7956–7964 (2022).
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, , F. Schmidt, , , A. Knop-Gericke, R. Schlögl, T. Jones, D. Teschner and : On the origin of multihole oxygen evolution in haematite photoanodes. Nature Catalysis 5 (10), 888–899 (2022).
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, N. Hörmann, and K. Reuter: Implicit Solvation Methods for Catalysis at Electrified Interfaces. Chemical Reviews 122 (12), 10777–10820 (2022).
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, , , , , , R. Schlögl, and : Ammonia Decomposition in the Process Chain for a Renewable Hydrogen Supply. Chemie-Ingenieur-Technik 94 (10), 1413–1425 (2022).
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Rouzegar, S.M., , L. Nadvornik, , A. Chekhov, O. Gückstock, C. In, M. Wolf, T. Seifert, , and T. Kampfrath: Laser-induced terahertz spin transport in magnetic nanostructures arises from the same force as ultrafast demagnetization. Physical Review B 106 (14), 144427 (2022).
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Rüscher, M., A. Herzog, J. Timoshenko, H. Jeon, W. Frandsen, S. Kühl and B. Roldan Cuenya: Tracking heterogeneous structural motifs and the redox behaviour of copper-zinc nanocatalysts for the electrocatalytic CO2 reduction using operando time resolved spectroscopy and machine learning. Catalysis Science & Technology 12 (9), 3028–3043 (2022).
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Sandoval Diaz, L., R. Schlögl and T. Lunkenbein: Quo Vadis Dry Reforming of Methane?—A Review on Its Chemical, Environmental, and Industrial Prospects. Catalysts 12 (5), 465 (2022).
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, , , E. Carbonio, , , , , A. Knop-Gericke, and : Tracking the nanoparticle exsolution/reoxidation processes of Ni-doped SrTi0.3Fe0.7O3−δ electrodes for intermediate temperature symmetric solid oxide fuel cells. Journal of Materials Chemistry A 10 (29), 15554–15568 (2022).
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, , L.M. Ghiringhelli and M. Scheffler: The NOMAD Artificial-Intelligence Toolkit: Turning materials-science data into knowledge and understanding. npj Computational Materials 8, 250 (2022).
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Scheffler, M., , , , , , , , , , , , and C. Draxl: FAIR data enabling new horizons for materials research. Nature 604 (7907), 635–642 (2022).
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, , , , T. Buttersack, D. Stemer, , , F. Trinter, B. Winter and : Photoelectron Spectroscopy of Benzene in the Liquid Phase and Dissolved in Liquid Ammonia. The Journal of Physical Chemistry B 126 (1), 229–238 (2022).
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Schewe, H.C., , , S. Malerz, , , H. Haak, G. Meijer, B. Winter and : Imaging of Chemical Kinetics at the Water-Water Interface in a Free-Flowing Liquid Flat-Jet. Journal of the American Chemical Society 144 (17), 7790–7795 (2022).
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, , T. Buttersack, D. Stemer, , , and B. Winter: Observation of Intermolecular Coulombic Decay and Shake-up Satellites in Liquid Ammonia. Structural Dynamics 9 (4), 044901 (2022).
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, , , , , , , F. Trinter and : Multiple photodetachment of oxygen anions via K-shell excitation and ionization: Direct double-detachment processes and subsequent deexcitation cascades. Physical Review A 106 (1), 013114 (2022).
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, , , R. Schlögl and : The Carbon2Chem® Laboratory in Oberhausen - A Workplace for Lab-Scale Setups within the Cross-Industrial Project. Chemie-Ingenieur-Technik 94 (10), 1397–1404 (2022).
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Schlögl, R.: Chemical Batteries with CO2. Angewandte Chemie International Edition 61 (7), e202007397 (2022).
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Schlögl, R.: Interfacial catalytic materials; challenge for inorganic synthetic chemistry. Zeitschrift für Naturforschung B 77 (6), 475–485 (2022).
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and B. Friedrich: Quantum carpets from tumbling molecules: Manipulating molecular rotation by electromagnetic fields. Research Outreach (129), 10–13 (2022).
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Schöllkopf, W.: Matter-wave optics: Observing an ultracold atomic cloud expanding in free fall. Natural Sciences 2 (1), e20210102 (2022).
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, , , , , A. Hammud, , , and : From Fully Strained to Relaxed: Epitaxial Ferroelectric Al1-xScxN for III-N Technology. Advanced Functional Materials 32 (21), 2109632 (2022).
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, E. Diesen, , , , , , , , , , , , , , , , , , , , , , , , , and : Atom-Specific Probing of Electron Dynamics in an Atomic Adsorbate by Time-Resolved X-Ray Spectroscopy. Physical Review Letters 129 (27), 276001 (2022).
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, T. Pincelli, S. Dong, , M. Wolf, L. Rettig, R. Ernstorfer and S. Beaulieu: Polarization-Modulated Angle-Resolved Photoemission Spectroscopy: Toward Circular Dichroism without Circular Photons and Bloch Wave-function Reconstruction. Physical Review X 12 (1), 011019 (2022).
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, , , , F. Trinter, , , , , , , , , and : X-Ray absorption spectroscopy of H3O+. Physical Chemistry Chemical Physics 24 (38), 23119–23127 (2022).
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, , , T. Kampfrath and : Spintronic sources of ultrashort terahertz electromagnetic pulses. Applied Physics Letters 120 (18), 180401 (2022).
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, , , , , , , , , C. Kolbeck, , , , , and : Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states. Faraday Discussions 236, 389–411 (2022).
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, , V.J. Bukas, , , , , and : Enhanced promotion of Ru-based ammonia catalysts by in situ dosing of Cs. Energy & Environmental Science 15 (8), 3310–3320 (2022).
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, , , , , , , P. Zeller, , , , , and : Stability of van der Waals FePX3 materials (X: S, Se) for water-splitting applications. 2D Materials 10 (1), 014008 (2022).
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, , , , , , C. Pratsch, and : Reduced formation of peroxide and radical species stabilises iron-based hybrid catalysts in polymer electrolyte membrane fuel cells. Journal of Energy Chemistry 65, 433–438 (2022).
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and B. Winter: Photoionization of the aqueous phase: Clusters, droplets and liquid jets. Physical Chemistry Chemical Physics 24 (22), 13438–13460 (2022).
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, , , , , , , , , , , K. Horn and : Electronic structure of β−Al3Mg2 and Al13Fe4 complex metallic alloys. Physical Review B 105 (20), 205107 (2022).
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Soares, E.A., , L. Gura, , , Z. Yang, , M. Heyde and H.-J. Freund: Structure and registry of the silica bilayer film on Ru(0001) as viewed by LEED and DFT. Physical Chemistry Chemical Physics 24 (48), 29721–29730 (2022).
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Staacke, C., T. Huss, J. Margraf, K. Reuter and C. Scheurer: Tackling Structural Complexity in Li2 S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials. Nanomaterials 12 (17), 2950 (2022).
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Staacke, C., S. Wengert, C. Kunkel, , K. Reuter and J. Margraf: Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model. Machine Learning: Science and Technology 3 (1), 015032 (2022).
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, M. Hävecker, A. Knop-Gericke, , , , , , , , , and : The Berlin Joint Lab for Electrochemical Interfaces, BElChem: A Facility for In-situ and Operando NAP-XPS and NAP-HAXPES Studies of Electrochemical Interfaces at BESSY II. Synchrotron Radiation News 35 (3), 54–60 (2022).
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, K. Reuter and C. Scheurer: Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg2+ Doping. Nanomaterials 12 (17), 2912 (2022).
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, , , , , , , , F. Trinter, , , and : X-Ray Photoabsorption of Density-sensitive Metastable States in Ne VII, Fe XXII, and Fe XXIII. The Astrophysical Journal 941 (2), 188 (2022).
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Stocker, S., , , and J. Margraf: How robust are modern graph neural network potentials in long and hot molecular dynamics simulations? Machine Learning: Science and Technology 3 (4), 045010 (2022).