Publikationen

Zeitschriftenartikel

Leung, K.C.-F., X.-B. Li, X. Li, S.-F. Lee, J.C. Yu, P.M. Mendes, K. Hermann und M.A.V. Hove: Soft nanohand grabs a growing nanoparticle. Materials Chemistry Frontiers 3 (8), 1555–1564 (2019).

MPG.PuRe

Zeitschriftenartikel

Levchenko, S.V. und M. Scheffler: Compact representation of one-particle wavefunctions and scalar fields obtained from electronic-structure calculations. Computer Physics Communications 237, 42–46 (2019).

MPG.PuRe

Zeitschriftenartikel

Lewandowski, A., P. Schlexer, S. Tosoni, L. Gura, P. Marschalik, C. Büchner, H. Burrall, K.M. Burson, W.-D. Schneider, G. Pacchioni und M. Heyde: Determination of Silica and Germania Film Network Structures on Ru(0001) at the Atomic Scale. The Journal of Physical Chemistry C 123 (13), 7889–7897 (2019).

MPG.PuRe

Zeitschriftenartikel

Lewandowski, A., F. Stavale, S. Tosoni, W.-D. Schneider, M. Heyde, G. Pacchioni und H.-J. Freund: Assessing the film-substrate interaction in germania films on reconstructed Au(111). Physical Review B 100 (24), 241403(R) (2019).

MPG.PuRe

Zeitschriftenartikel

Lewandowski, A., S. Tosoni, L. Gura, P. Schlexer, P. Marschalik, W.-D. Schneider, M. Heyde, G. Pacchioni und H.-J. Freund: From Crystalline to Amorphous Germania Bilayer Films at the Atomic Scale: Preparation and Characterization. Angewandte Chemie International Edition 58 (32), 10903–10908 (2019).

MPG.PuRe

Zeitschriftenartikel

Lewandowski, A., S. Tosoni, L. Gura, P. Schlexer, P. Marschalik, W.-D. Schneider, M. Heyde, G. Pacchioni und H.-J. Freund: From Crystalline to Amorphous Germania Bilayer Films at the Atomic Scale: Preparation and Characterization. Angewandte Chemie 131 (32), 11019–11024 (2019).

MPG.PuRe

Zeitschriftenartikel

Lewis, T.L., B. Winter, S. Thurmer, R. Seidel, A.B. Stephansen, J.A. Freites, D.J. Tobias und J.C. Hemminger: Molecular Arrangement of a Mixture of Organosulfur Surfactants at the Aqueous Solution–Vapor Interface Studied by Photoelectron Intensity and Angular Distribution Measurements and Molecular Dynamics Simulations. The Journal of Physical Chemistry C 123 (13), 8160–8170 (2019).

MPG.PuRe

Zeitschriftenartikel

Li, J., Q. Wang, G. He, M. Widom, L. Nemec, V. Blum, M. Kim, P. Rinke und R.M. Feenstra: Formation of graphene atop a Si adlayer on the C-face of SiC. Physical Review Materials 3 (8), 084006 (2019).

MPG.PuRe

Zeitschriftenartikel

Li, M., Y. Luo, G. Cai, X. Li, X. Li, Z. Han, X. Lin, D. Sarker und J. Cui: Realizing high thermoelectric performance in Cu₂Te alloyed Cu_1.15In_2.29Te₄. Journal of Materials Chemistry A 7 (5), 2360–2367 (2019).

MPG.PuRe

Zeitschriftenartikel

Li, M., Y. Luo, X. Hu, Z.-K. Han, X. Liu und J. Cui: Co-regulation of the copper vacancy concentration and point defects leading to the enhanced thermoelectric performance of Cu₃In₅Te₉-based chalcogenides. RSC Advances 9 (54), 31747–31752 (2019).

MPG.PuRe

Zeitschriftenartikel

Li, S., J. Yang, C. Song, Q. Zhu, D. Xiao und D. Ma: Iron Carbides: Control Synthesis and Catalytic Applications in CO_x Hydrogenation and Electrochemical HER. Advanced Materials 31 (50), 1901796 (2019).

MPG.PuRe

Full

Zeitschriftenartikel

Li, X., D. Teschner, V. Pfeifer, T. Lunkenbein, L. Masliuk, T. Fu, Y. Wang, T. Jones, F. Seitz, F. Girgsdies, F. Rosowski, R. Schlögl und A. Trunschke: How to control selectivity in alkane oxidation? Chemical Science 10 (8), 2429–2443 (2019).

MPG.PuRe

Zeitschriftenartikel

Li, Y., S. Debnath, M. Schlangen, W. Schöllkopf, K.R. Asmis und H. Schwarz: Direct Identification of Acetaldehyde Formation and Characterization of the Active Site in the [VPO₄]^.+/C₂H₄ Couple by Gas‐Phase Vibrational Spectroscopy. Angewandte Chemie International Edition 58 (52), 18868–18872 (2019).

MPG.PuRe

Zeitschriftenartikel

Li, Y., S. Debnath, M. Schlangen, W. Schöllkopf, K.R. Asmis und H. Schwarz: Direct Identification of Acetaldehyde Formation and Characterization of the Active Site in the [VPO₄]^.+/C₂H₄ Couple by Gas‐Phase Vibrational Spectroscopy. Angewandte Chemie 131 (52), 19044–19048 (2019).

MPG.PuRe

Zeitschriftenartikel

Li, Y.F., N. Soheilnia, M. Greiner, U. Ulmer, T. Wood, A.A. Jelle, Y. Dong, A.P.Y. Wong, J. Jia und G.A. Ozin: Pd@H_yWO_3–x Nanowires Efficiently Catalyze the CO₂ Heterogeneous Reduction Reaction with a Pronounced Light Effect. ACS Applied Materials and Interfaces 11 (6), 5610–5615 (2019).

MPG.PuRe

Zeitschriftenartikel

Li, Z., K. Werner, K. Qian, R. You, A. Plucienik, A. Jia, L. Wu, L. Zhang, H. Pan, H. Kuhlenbeck, S.K. Shaikhutdinov, W. Huang und H.-J. Freund: Oxidation of Reduced Ceria by Incorporation of Hydrogen. Angewandte Chemie International Edition 58 (41), 14686–14693 (2019).

MPG.PuRe

Zeitschriftenartikel

Li, Z., K. Werner, K. Qian, R. You, A. Plucienik, A. Jia, L. Wu, L. Zhang, H. Pan, H. Kuhlenbeck, S.K. Shaikhutdinov, W. Huang und H.-J. Freund: Oxidation of Reduced Ceria by Incorporation of Hydrogen. Angewandte Chemie 131 (41), 14828–14835 (2019).

MPG.PuRe

Zeitschriftenartikel

Lian, T., M.T.M. Koper, K. Reuter und J.E. Subotnik: Special Topic on Interfacial Electrochemistry and (Photo)electrocatalysis. The Journal of Chemical Physics 150 (4), 041401 (2019).

MPG.PuRe

Zeitschriftenartikel

Lin, C., E. Durant, M. Persson, M. Rossi und T. Kumagai: Real-Space Observation of Quantum Tunneling by a Carbon Atom: Flipping Reaction of Formaldehyde on Cu(110). The Journal of Physical Chemistry Letters 10 (3), 645–649 (2019).

MPG.PuRe

Zeitschriftenartikel

Lin, C., K. Ikeda, Y. Shiota, K. Yoshizawa und T. Kumagai: Real-space observation of far- and near-field-induced photolysis of molecular oxygen on an Ag(110) surface by visible light. The Journal of Chemical Physics 151 (14), 144705 (2019).

MPG.PuRe

Zeitschriftenartikel

Lin, Y., Z. Liu, Y. Niu, B. Zhang, Q. Lu, S. Wu, G. Centi, S. Perathoner, S. Heumann, L. Yu und D.S. Su: Highly Efficient Metal-Free Nitrogen-Doped Nanocarbons with Unexpected Active Sites for Aerobic Catalytic Reactions. ACS Nano 13 (12), 13995–14004 (2019).

MPG.PuRe

Zeitschriftenartikel

Lin, Y., Q. Lu, F. Song, L. Yu, A.K. Mechler, R. Schlögl und S. Heumann: Sauerstoffentwicklungsreaktion an Kohlenstoffkanten: Aktivitätsentwicklungund Struktur-Eigenschafts-Beziehungen, untersucht anhand polyzyklischer aromatischer Kohlenwasserstoffe. Angewandte Chemie 131 (26), 9010–9014 (2019).

MPG.PuRe

Zeitschriftenartikel

Lin, Y., Q. Lu, F. Song, L. Yu, A.K. Mechler, R. Schlögl und S. Heumann: Oxygen Evolution Reaction at Carbon Edge Sites: Investigartion of Activity Evolution and Structure‐Function Relationships Clarified by Polycyclic Aromatic Hydrocarbons. Angewandte Chemie International Edition 58 (26), 8917–8921 (2019).

MPG.PuRe

Zeitschriftenartikel

Litman, Y., J.O. Richardson, T. Kumagai und M. Rossi: Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene. Journal of the American Chemical Society 141 (6), 2526–2534 (2019).

MPG.PuRe

Zeitschriftenartikel

Liu, S., M. Müller, Y. Sun, I. Hamada, A. Hammud, M. Wolf und T. Kumagai: Resolving the Correlation between Tip-Enhanced Resonance Raman Scattering and Local Electronic States with 1 nm Resolution. Nano Letters 19 (8), 5725–5731 (2019).

MPG.PuRe

Zeitschriftenartikel

Liu, Y., B. Huang, X. Zhang, X. Huang und Z. Xie: In-situ fabrication of nitrogen-doped carbon nanosheets containing highly dispersed single iron atoms for oxygen reduction reaction. Journal of Power Sources 412, 125–133 (2019).

MPG.PuRe

Zeitschriftenartikel

Lokare, K.S., B. Braun‐Cula, C. Limberg, M. Jorewitz, J.T. Kelly, K.R. Asmis, S. Leach, C. Baldauf, I. Goikoetxea und J. Sauer: Structure and Reactivity of Al−O(H)−Al Moieties in Siloxide Frameworks: Solution and Gas‐Phase Model Studies. Angewandte Chemie International Edition 58 (3), 902–906 (2019).

MPG.PuRe

Zeitschriftenartikel

Lokare, K.S., B. Braun‐Cula, C. Limberg, M. Jorewitz, J.T. Kelly, K.R. Asmis, S. Leach, C. Baldauf, I. Goikoetxea und J. Sauer: Struktur und Reaktivität der Al‐O(H)‐Al‐Einheiten in Siloxidgerüstverbindungen – Modellstudien in Lösung und in Isolation. Angewandte Chemie 131 (3), 912–917 (2019).

MPG.PuRe

Zeitschriftenartikel

Maass, F., M. Ajdari, F. Cheenicode Kabeer, M. Vogtland, A. Tkatchenko und P. Tegeder: Nonadditivity of the Adsorption Energies of Linear Acenes on Au(111): Molecular Anisotropy and Many-Body Effects. The Journal of Physical Chemistry Letters 10 (5), 1000–1004 (2019).

MPG.PuRe

Zeitschriftenartikel

Manz, C., M. Grabarics, F. Hoberg, M. Pugini, A. Stuckmann, W.B. Struwe und K. Pagel: Separation of isomeric glycans by ion mobility spectrometry-the impact of fluorescent labelling. Analyst 144 (17), 5292–5298 (2019).

MPG.PuRe

Zeitschriftenartikel

Margraf, J.T., C. Kunkel und K. Reuter: Towards Density Functional Approximations from Coupled Cluster Correlation Energy Densities. The Journal of Chemical Physics 150 (24), 244116 (2019).

MPG.PuRe

Zeitschriftenartikel

Margraf, J.T. und K. Reuter: Systematic Enumeration of Elementary Reaction Steps in Surface Catalysis. ACS Omega 4 (2), 3370–3379 (2019).

MPG.PuRe

Zeitschriftenartikel

Marianski, M., J. Seo, E. Mucha, D. Thomas, S. Jung, R. Schlögl, G. Meijer, A. Trunschke und G.von Helden: Structural Characterization of Molybdenum Oxide Nanoclusters Using Ion Mobility Spectrometry-Mass Spectrometry and Infrared Action Spectroscopy. The Journal of Physical Chemistry C 123 (13), 7845–7853 (2019).

MPG.PuRe

Full

supplementary-material

Zeitschriftenartikel

Masa, J., C. Andronescu, H. Antoni, I. Sinev, S. Seisel, K. Elumeeva, S. Barwe, S. Marti-Sanchez, J. Arbiol, B. Roldan Cuenya, M. Muhler und W. Schuhmann: Role of Boron and Phosphorus in Enhanced Electrocatalytic Oxygen Evolution by Nickel Borides and Nickel Phosphides. ChemElectroChem 6 (1), 235–240 (2019).

MPG.PuRe

Zeitschriftenartikel

Maurer, R.J. und K. Reuter: Computational design of metal-supported molecular switches: transient ion formation during light- and electron-induced isomerisation of azobenzene. Journal of Physics: Condensed Matter 31 (4), 044003 (2019).

MPG.PuRe

Zeitschriftenartikel

Melani, G., Y. Nagata, R.K. Campen und P. Saalfrank: Vibrational spectra of dissociatively adsorbed D₂O on Al-terminated α-Al₂O₃(0001) surfaces from ab initio molecular dynamics. The Journal of Chemical Physics 150 (24), 244701 (2019).

MPG.PuRe

Zeitschriftenartikel

Menezes, P.W., A. Indra, I. Zaharieva, C. Walter, S. Loos, S. Hoffmann, R. Schlögl, H. Dau und M. Driess: Helical cobalt borophosphates to master durable overall water-splitting. Energy & Environmental Science 12 (3), 988–999 (2019).

MPG.PuRe

Zeitschriftenartikel

Mewafy, B., F. Paloukis, K.M. Papazisi, S.P. Balomenou, W. Luo, D. Teschner, O. Joubert, A. Le Gal La Salle, D.K. Niakolas und S. Zafeiratos: Influence of Surface State on the Electrochemical Performance of Nickel-Based Cermet Electrodes during Steam Electrolysis. ACS Applied Energy Materials 2 (10), 7045–7055 (2019).

MPG.PuRe

Zeitschriftenartikel

Michelitsch, G.S. und K. Reuter: Efficient simulation of near-edge x-ray absorption fine structure (NEXAFS) in density-functional theory: Comparison of core-level constraining approaches. The Journal of Chemical Physics 150 (7), 074104 (2019).

MPG.PuRe

Zeitschriftenartikel

Millet, M.-M., G. Algara-Siller, S. Wrabetz, A. Mazheika, F. Girgsdies, D. Teschner, F. Seitz, A. Tarasov, S.V. Levchenko, R. Schlögl und E. Frei: Ni Single Atom Catalysts for CO₂ Activation. Journal of the American Chemical Society 141 (6), 2451–2461 (2019).

MPG.PuRe

Zeitschriftenartikel

Millet, M.-M., A. Tarasov, F. Girgsdies, G. Algara-Siller, R. Schlögl und E. Frei: Highly dispersed Ni⁰/Ni_xMg_1-xO catalysts derived from solid solutions: How metal and support control the CO₂ hydrogenation. ACS Catalysis 9 (9), 8534–8546 (2019).

MPG.PuRe

Zeitschriftenartikel

Mom, R., L. Frevel, J. Velasco Vélez, M. Plodinec, A. Knop-Gericke und R. Schlögl: The Oxidation of Platinum under Wet Conditions Observed by Electrochemical X-ray Photoelectron Spectroscopy. Journal of the American Chemical Society 141 (16), 6537–6544 (2019).

MPG.PuRe

Zeitschriftenartikel

Mortazavi, M., J. Hoja, L. Aerts, L. Quéré, J. van de Streek, M.A. Neumann und A. Tkatchenko: Computational polymorph screening reveals late-appearing and poorly-soluble form of rotigotine. Communications Chemistry 2, 70 (2019).

MPG.PuRe

Zeitschriftenartikel

Mucha, E., A. Stuckmann, M. Marianski, W.B. Struwe, G. Meijer und K. Pagel: In-depth structural analysis of glycans in the gas phase. Chemical Science 10 (5), 1272–1284 (2019).

MPG.PuRe

Zeitschriftenartikel

Nagamura, N., H. Fukidome, K. Nagashio, K. Horiba, T. Ide, K. Funakubo, K. Tashima, A. Toriumi, M. Suemitsu, K. Horn und M. Oshima: Influence of interface dipole layers on the performance of graphene field effect transistors. Carbon 152, 680–687 (2019).

MPG.PuRe

Zeitschriftenartikel

Nandi, U., M.S. Abdelaziz, S. Jaiswal, G. Jakob, O. Gückstock, S.M. Rouzegar, T. Seifert, M. Kläui, T. Kampfrath und S. Preu: Antenna-coupled spintronic terahertz emitters driven by a 1550 nm femtosecond laser oscillator. Applied Physics Letters 115 (02), 022405 (2019).

MPG.PuRe

Zeitschriftenartikel

Nath, P., D. Usanmaz, D. Hicks, C. Oses, M. Fornari, M. Buongiorno Nardelli, C. Toher und S. Curtarolo: AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids. Physical Review Materials 3 (7), 073801 (2019).

MPG.PuRe

Zeitschriftenartikel

Nicholson, C., M. Puppin, A. Lücke, U. Gerstmann, M. Krenz, W.G. Schmidt, L. Rettig, R. Ernstorfer und M. Wolf: Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy. Physical Review B 99 (15), 155107 (2019).

MPG.PuRe

Zeitschriftenartikel

Nishanthi, S.T., A. Baruah, K.K. Yadav, D. Sarker, S. Ghosh, A.K. Ganguli und M. Jha: New low temperature environmental friendly process for the synthesis of tetragonal MoO₂ and its field emission properties. Applied Surface Science 467-468, 1148–1156 (2019).

MPG.PuRe