Zeitschriftenartikel (8646)

2019
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Gu, Q., Y. Ding, Z. Liu, Y. Lin, R. Schlögl, S. Heumann und D.S. Su: Probing the intrinsic catalytic activity of carbon nanotubes for the metal-free oxidation of aromatic thiophene compounds in ionic liquids. Journal of Energy Chemistry 32, 131–137 (2019).
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Guday, G., I.S. Donskyi, M.F. Gholami, G. Algara-Siller, F. Witte, A. Lippitz, W.E.S. Unger, B. Paulus, J.P. Rabe, M. Adeli und R. Haag: Scalable Production of Nanographene and Doping via Nondestructive Covalent Functionalization. Small 1805430 (2019).
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Guedes-Sobrinho, D., W. Wang, I.P. Hamilton, J.L.F. Da Silva und L.M. Ghiringhelli: (Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature. The Journal of Physical Chemistry Letters 10, 685–692 (2019).
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Gütlein, P., L. Lang, K. Reuter, J. Blumberger und H. Oberhofer: Toward First-Principles-Level Polarization Energies in Force Fields: A Gaussian Basis for the Atom-Condensed Kohn–Sham Method. Journal of Chemical Theory and Computation 15 (8), 4516–4525 (2019).
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Han, Z.-K., L. Zhang, M. Liu, M.V. Ganduglia-Pirovano und Y. Gao: The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO2 (111) Under Strain. Frontiers in Chemistry 7, 436 (2019).
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Han, Z.-K., L. Zhang, M. Liu, V. Ganduglia-Pirovano und Y. Gao: Corrigendum: The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO2 (111) Under Strain. Frontiers in Chemistry 7, 795 (2019).
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Hans, A., T. Miteva, X. Holzapfel, C. Ozga, P. Schmidt, H. Otto, G. Hartmann, C. Richter, N. Sisourat, A. Ehresmann, K. Gokhberg, U. Hergenhahn und A. Knie: Electronic Decay of Singly Charged Ground-State Ions by Charge Transfer via van der Waals Bonds. Physical Review Letters 123 (21), 312001 (2019).
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Hartmann, G., M. Ilchen, P. Schmidt, C. Küstner-Wetekam, C. Ozga, F. Scholz, J. Buck, F. Trinter, J. Viefhaus, A. Ehresmann, M.S. Schöffler, A. Knie und P.V. Demekhin: Recovery of High-Energy Photoelectron Circular Dichroism through Fano Interference. Physical Review Letters 123 (4), 043202 (2019).
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Häusler, I., R.D. Kamachali, W. Hetaba und B. Skrotzki: Thickening of T1 Precipitates during Aging of a High Purity Al–4Cu–1Li–0.25Mn Alloy. Materials 12 (1), 30 (2019).
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He, T., K. Reuter und A. Du: Atomically Dispersed Asymmetric Cu–B Pair on 2D Carbon Nitride Synergistically Boosts the Conversion of CO into C2 Products. Journal of Materials Chemistry A 8 (2), 599–606 (2019).
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Head, A.R., C. Gattinoni, L. Trotochaud, Y. Yu, O. Karslıoǧlu, S. Pletincx, B. Eichhorn und H. Bluhm: Water (Non-)Interaction with MoO3. The Journal of Physical Chemistry C 123 (27), 16836–16842 (2019).
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Heenen, H.H., J. Voss, C. Scheurer, K. Reuter und A.C. Luntz: Multi-Ion Conduction in Li3OCl Glass Electrolytes. The Journal of Physical Chemistry Letters 10 (9), 2264–2269 (2019).
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Helbig, C., A.M. Bradshaw, L. Wietschel, A. Thorenz und A. Tuma: Corrigendum to “Supply risks associated with lithium-ion battery materials” J. Clean. Prod. 172 (2018) 274-286. Journal of Cleaner Production 221, 899–903 (2019).
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Helk, T., M. Zürch und C. Spielmann: Perspective: Towards single shot time-resolved microscopy using short wavelength table-top light sources. Structural Dynamics 6 (1), 010902 (2019).
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Hicks, D., M.J. Mehl, E. Gossett, C. Toher, O. Levy, R.M. Hanson, G. Hart und S. Curtarolo: The AFLOW Library of Crystallographic Prototypes: Part 2. Computational Materials Science 161 (Suppl.), S1–S1011 (2019).
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Hieke, S.W., M.G. Willinger, Z.-J. Wang, G. Richter, D. Chatain, G. Dehm und C. Scheu: On pinning-depinning and microkink-flow in solid state dewetting: Insights by in-situ ESEM on Al thin films. Acta Materialia 165, 153–163 (2019).
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Hille, C., S. Ringe, M. Deimel, C. Kunkel, W.E. Acree, K. Reuter und H. Oberhofer: Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme. The Journal of Chemical Physics 150 (4), 041710 (2019).
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Hoffmann, W., J. Langenhan, S. Huhmann, J. Moschner, R. Chang, M. Accorsi, J. Seo, Rademann Jörg, G. Meijer, B. Koksch, M.T. Bowers, G.von Helden und K. Pagel: An Intrinsic Hydrophobicity Scale for Amino Acids and Its Application to Fluorinated Compounds. Angewandte Chemie International Edition 58 (24), 8216–8220 (2019).
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Hoffmann, W., J. Langenhan, S. Huhmann, J. Moschner, R. Chang, M. Accorsi, J. Seo, Rademann Jörg, G. Meijer, B. Koksch, M.T. Bowers, G.von Helden und K. Pagel: Eine intrinsische Hydrophobieskala für Aminosäuren und ihre Anwendung auf fluorierte Verbindungen. Angewandte Chemie 131 (24), 8300–8304 (2019).
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Hollerer, M., D. Prochinig, P. Puschnig, E. Carrasco, H.-J. Freund und M. Sterrer: Scanning Tunneling Microscopy of the Ordered Water Monolayer on MgO(001)/Ag(001) Ultrathin Films. The Journal of Physical Chemistry C 123 (6), 3711–3718 (2019).
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Huang, X., R. Farra, R. Schlögl und M.G. Willinger: Growth and Termination Dynamics of Multiwalled Carbon Nanotubes at Near Ambient Pressure: An in Situ Transmission Electron Microscopy Study. Nano Letters 19 (8), 5380–5387 (2019).
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Huang, X., D. Teschner, M. Dimitrakopoulou, A. Fedorov, B. Frank, R. Kraehnert, F. Rosowski, H. Kaiser, S. Schunk, C. Kuretschka, R. Schlögl, M.G. Willinger und A. Trunschke: Atomic‐Scale Observation of the Metal‐Promoter Interaction in Rh‐Based Syngas Upgrading Catalysts. Angewandte Chemie International Edition 58 (26), 8709–87713 (2019).
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Huang, X., D. Teschner, M. Dimitrakopoulou, A. Fedorov, B. Frank, R. Kraehnert, F. Rosowski, H. Kaiser, S. Schunk, C. Kuretschka, R. Schlögl, M.G. Willinger und A. Trunschke: Atomic‐Scale Observation of the Metal‐Promoter Interaction in Rh‐Based Syngas Upgrading Catalysts. Angewandte Chemie 131 (26), 8801–8805 (2019).
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Ickert, S., T. Schwaar, A. Springer, M. Grabarics, J. Riedel, S. Beck, K. Pagel und M.W. Linscheid: Comparison of the fragmentation behavior of DNA and LNA single strands and duplexes. Journal of Mass Spectrometry 54 (5), 402–411 (2019).
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Jeon, H., J. Timoshenko, F. Scholten, I. Sinev, A. Herzog, F. Haase und B. Roldan Cuenya: Operando Insight into the Correlation between the Structure and Composition of CuZn Nanoparticles and their Selectivity for the Electrochemical CO2 Reduction. Journal of the American Chemical Society 141 (50), 19879–19887 (2019).
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Kaichev, V.V., A.A. Saraev, A.Y. Gladky, I.P. Prosvirin, A. Knop-Gericke und V.I. Bukhtiyarov: In Situ Study of Self-sustained Oscillations in Propane Oxidation and Propane Steam Reforming with Oxygen Over Nickel. Catalysis Letters 149 (1), 313–321 (2019).
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Kapil, V., E. Engel, M. Rossi und M. Ceriotti: Assessment of Approximate Methods for Anharmonic Free Energies. Journal of Chemical Theory and Computation 15 (11), 5845–5857 (2019).
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Kapil, V., M. Rossi, O. Marsalek, R. Petraglia, Y. Litman, T. Spura, B. Cheng, A. Cuzzocrea, R.H. Meißner, D.M. Wilkins, B.A. Helfrecht, P. Juda, S.P. Bienvenue, W. Fang, J. Kessler, I. Poltavsky, S. Vandenbrande, J. Wieme, C. Corminboeuf, T.D. Kühne, D.E. Manolopoulos, T.E. Markland, J.O. Richardson, A. Tkatchenko, G.A. Tribello, V. Van Speybroeck und M. Ceriotti: i-PI 2.0: A universal force engine for advanced molecular simulations. Computer Physics Communications 236, 214–223 (2019).
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Kaplan, C.J., P.M. Kraus, E.M. Gullikson, L.J. Borja, S.K. Cushing, M. Zürch, H.-T. Chang, D.M. Neumark und S.R. Leone: Retrieval of the complex-valued refractive index of germanium near the M4,5 absorption edge. Journal of the Optical Society of America B 36 (6), 1716–1720 (2019).
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Karpinsky, D.V., I.O. Troyanchuk, A.V. Trukhanov, M.G. Willinger, V.A. Khomchenko, A.L. Kholkin, V. Sikolenko, T. Maniecki, W. Maniukiewicz, S.V. Dubkov und M.V. Silibin: Structure and piezoelectric properties of Sm-doped BiFeO3 ceramics near the morphotropic phase boundary. Materials Research Bulletin 112, 420–425 (2019).
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Khan, M.I., S. Cramm, D.E. Bürgler, U. Parlak, S. Nemsák, D.M. Gottlob, J. Hackl, H. Doganay und C.M. Schneider: Current-induced domain wall oscillations in a nanowire imaged by time-resolved photoemission electron microscopy. Journal of Magnetism and Magnetic Materials 476, 538–545 (2019).
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Kick, M., K. Reuter und H. Oberhofer: Intricacies of DFT+U, not only in a Numeric Atom Centered Orbital Framework. Journal of Chemical Theory and Computation 15 (3), 1705–1718 (2019).
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Kießling, R., Y. Tong, A.J. Giles, S. Gewinner, W. Schöllkopf, J.D. Caldwell, M. Wolf und A. Paarmann: Surface Phonon Polariton Resonance Imaging Using Long-Wave Infrared-Visible Sum-Frequency Generation Microscopy. ACS Photonics 6 (11), 3017–3023 (2019).
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Kim, V.O., K. Broch, V. Belova, Y.S. Chen, A. Gerlach, F. Schreiber, H. Tamura, R.G.D. Valle, G. D’Avino, I. Salzmann, D. Beljonne, A. Rao und R. Friend: Singlet exciton fission via an intermolecular charge transfer state in coevaporated pentacene-perfluoropentacene thin films. The Journal of Chemical Physics 151 (16), 164706 (2019).
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King, S.B., K. Broch, A. Demling und J. Stähler: Multistep and multiscale electron transfer and localization dynamics at a model electrolyte/metal interface. The Journal of Chemical Physics 150 (4), 041702 (2019).
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Kircher, M., J. Rist, F. Trinter, S. Grundmann, M. Waitz, N. Melzer, I. Vela-Perez, T. Mletzko, A. Pier, N. Strenger, J. Siebert, R. Janssen, V. Honkimäki, J. Drnec, P.V. Demekhin, L.P.H. Schmidt, M.S. Schöffler, T. Jahnke und R. Dörner: Photon-Momentum-Induced Molecular Dynamics in Photoionization of N2 at hν = 40 keV. Physical Review Letters 123 (19), 193001 (2019).
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Kircher, M., J. Rist, F. Trinter, S. Grundmann, M. Waitz, N. Melzer, I. Vela-Pérez, T. Mletzko, A. Pier, N. Strenger, J. Siebert, R. Janssen, L.P.H. Schmidt, A.N. Artemyev, M.S. Schöffler, T. Jahnke, R. Dörner und P.V. Demekhin: Recoil-Induced Asymmetry of Nondipole Molecular Frame Photoelectron Angular Distributions in the Hard X-ray Regime. Physical Review Letters 123 (24), 243201 (2019).
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Klein, D., Y. Xu, R. Schlögl und S. Cap: Low Reversible Capacity of Nitridated Titanium Electrical Terminals. Batteries 5 (1), 17 (2019).
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Klemm, H., M. Prieto, G. Peschel, A. Fuhrich, E. Madej, F. Xiong, D. Menzel, T. Schmidt und H.-J. Freund: Formation and Evolution of Ultrathin Silica Polymorphs on Ru(0001) Studied with Combined in Situ, Real-Time Methods. The Journal of Physical Chemistry C 123 (13), 8228–8243 (2019).
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Kraus, P., C. Massué, S. Heumann und R. Schlögl: Reliable long-term performance assessment of commercial photovoltaic modules tested under field conditions over 5 years. Journal of Renewable and Sustainable Energy 11 (6), 063501 (2019).
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Kunkel, C., C. Schober, J.T. Margraf, K. Reuter und H. Oberhofer: Finding the Right Bricks for Molecular Legos: A Data Mining Approach to Organic Semiconductor Design. Chemistry of Materials 31 (3), 969–978 (2019).
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Kunkel, C., C. Schober, H. Oberhofer und K. Reuter: Knowledge discovery through chemical space networks: the case of organic electronics. Journal of Molecular Modeling 25 (4), 87 (2019).
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Kus, P., A. Marek, S.S. Köcher, H.-H. Kowalski, C. Carbogno, C. Scheurer, K. Reuter, M. Scheffler und H. Lederer: Optimizations of the eigensolvers in the ELPA library. Parallel Computing 85, 167–177 (2019).
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Laha, S., Y. Lee, F. Podjaski, D. Weber, V. Duppel, L.M. Schoop, F. Pielnhofer, C. Scheurer, K. Müller, U. Starke, K. Reuter und B.V. Lotsch: Ruthenium Oxide Nanosheets for Enhanced Oxygen Evolution Catalysis in Acidic Medium. Advanced Energy Materials 9 (15), 1803795 (2019).
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Lalithambika, S.S.N., R. Golnak, B. Winter und K. Atak: Electronic Structure of Aqueous Co[bpy3]2+/3+ Electron Mediators. Inorganic Chemistry 58 (8), 4731–4740 (2019).
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Lamoth, M., M. Plodinec, L. Scharfenberg, S. Wrabetz, F. Girgsdies, T. Jones, F. Rosowski, R. Horn, R. Schlögl und E. Frei: Supported Ag Nanoparticles and Clusters for CO Oxidation: Size Effects and Influence of the Silver–Oxygen Interactions. ACS Applied Nano Materials 2 (5), 2909–2920 (2019).
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Lee, J.B., M.H. Jeon, J.K. Seo, G.von Helden, J.-U. Rohde, B.S. Zhao, J. Seo und S.Y. Hong: Annulative π-Extension of Unactivated Benzene Derivatives through Nondirected C-H Arylation. Organic Letters 21 (17), 7004–7008 (2019).
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Lee, J.H., L.Y. Kim, Y.-T. Kim, C.Y. Lee, W. Schöllkopf und B.S. Zhao: Matter-Wave Diffraction from a Periodic Array of Half Planes. Physical Review Letters 122 (04), 040401 (2019).
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Lee, S., A. Halder, G.A. Ferguson, S. Seifert, R.E. Winans, D. Teschner, R. Schlögl, V. Papaefthimiou, J. Greeley, L.A. Curtiss und S. Vajda: Subnanometer cobalt oxide clusters as selective low temperature oxidative dehydrogenation catalysts. Nature Communications 10 (1), 954 (2019).
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Lenz, M.-O., T. Purcell, D. Hicks, S. Curtarolo, M. Scheffler und C. Carbogno: Parametrically constrained geometry relaxations for high-throughput materials science. npj Computational Materials 5, 123 (2019).
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