Publications

Zeitschriftenartikel

Ferreira, A.R., K. Reuter und C. Scheurer: Toward Routine Gauge-Including Projector Augmented-Wave Calculations for Metallic Systems: The Case of ScT₂Al (T = Ni, Pd, Pt, Cu, Ag, Au) Heusler Phases. The Journal of Physical Chemistry C 120 (44), 25530–25540 (2016).

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Zeitschriftenartikel

Ferreira, A.R., K. Reuter und C. Scheurer: DFT simulations of ⁷Li solid state NMR spectral parameters and Li⁺ ion migration barriers in Li₂ZrO₃. RSC Advances 6 (47), 41015–41024 (2016).

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Zeitschriftenartikel

Flores-Huerta, A.G., A. Tkatchenko und M. Galván: Nature of Hydrogen Bonds and S···S Interactions in the L-Cystine Crystal. The Journal of Physical Chemistry A 120 (24), 4223–4230 (2016).

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Zeitschriftenartikel

Foglia, L., L. Bogner, M. Wolf und J. Stähler: Localization-dependent charge separation efficiency at an organic/inorganic hybrid interface. Chemical Physics Letters 646, 25–30 (2016).

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pre-print

Zeitschriftenartikel

Foglia, L., M. Wolf und J. Stähler: Ultrafast dynamics in solids probed by femtosecond time-resolved broadband electronic sum frequency generation. Applied Physics Letters 109 (20), 202106 (2016).

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Zeitschriftenartikel

Frank, B., Z. Xie, K. Friedel Ortega, M. Scherzer, R. Schlögl und A. Trunschke: Modification of the carbide microstructure by N- and S-functionalization of the support in MoxC/CNT catalysts. Catalysis Science & Technology 6 (10), 3468–3475 (2016).

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supplementary-material

Zeitschriftenartikel

Freund, H.-J.: Van`t Hoff-Preis 2016: Prof. Dr. Christof Wöll und Prof. Dr. Klaus Kern. Bunsen-Magazin 18 (5), 182–183 (2016).

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Zeitschriftenartikel

Freund, H.-J.: The Surface Science of Catalysis and More, Using Ultrathin Oxide Films as Templates: A Perspective. Journal of the American Chemical Society 138 (29), 8985–8996 (2016).

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Zeitschriftenartikel

Friedel Ortega, K., R. Arrigo, B. Frank, R. Schlögl und A. Trunschke: Acid–Base Properties of N-Doped Carbon Nanotubes: A Combined Temperature-Programmed Desorption, X-ray Photoelectron Spectroscopy, and 2-Propanol Reaction Investigation. Chemistry of Materials 28 (19), 6826–6839 (2016).

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supplementary-material

Zeitschriftenartikel

Friedrich, B.: How Did the Tree of Knowledge Get Its Blossom? The Rise of Physical and Theoretical Chemistry, with an Eye on Berlin and Leipzig. Angewandte Chemie International Edition 55 (18), 5378–5392 (2016).

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Zeitschriftenartikel

Friedrich, B.: Wie kam der Baum des Wissens zur Blüte? Der Aufstieg der physikalischen und theoretischen Chemie, mit besonderem Augenmerk auf Berlin und Leipzig. Angewandte Chemie 128 (18), 5466–5481 (2016).

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Zeitschriftenartikel

Friedrich, B.: Michael Polanyi (1891-1976): The life of the mind. Bunsen-Magazin 18 (5), 160–167 (2016).

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Zeitschriftenartikel

Friedrich, B. und D. Hoffmann: Clara Haber, nee Immerwahr (1870-1915): Life, Work and Legacy. Zeitschrift für anorganische und allgemeine Chemie 642 (6), 437–448 (2016).

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Zeitschriftenartikel

Fujimori, Y., X. Zhao, X. Shao, S.V. Levchenko, N. Nilius, M. Sterrer und H.-J. Freund: Interaction of Water with the CaO(001) Surface. The Journal of Physical Chemistry C 120 (10), 5565–5576 (2016).

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Zeitschriftenartikel

Galván, C.Á., J. Schumann, M. Behrens, J.L.G. Fierro, R. Schlögl und E. Frei: Reverse water-gas shift reaction at the Cu/ZnO interface: Influence of the Cu/Zn ratio on structure-activity correlations. Applied Catalysis B 195, 104–111 (2016).

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Zeitschriftenartikel

Gatla, S., D. Aubert, G. Agostini, O. Mathon, S. Pascarelli, T. Lunkenbein, M.G. Willinger und H. Kaper: Room-Temperature CO Oxidation Catalyst: Low-Temperature Metal–Support Interaction between Platinum Nanoparticles and Nanosized Ceria. ACS Catalysis 6 (9), 6151–6155 (2016).

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supplementary-material

Zeitschriftenartikel

Genuzio, F., A. Sala, T. Schmidt, D. Menzel und H.-J. Freund: Phase transformations in thin iron oxide films: Spectromicroscopic study of velocity and shape of the reaction fronts. Surface Science 648, 177–187 (2016).

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Zeitschriftenartikel

Ghalgaoui, A., N. Doudin, F. Calaza, S. Surnev und M. Sterrer: Ordered Au Nanoparticle Array on Au(111) through Coverage Control of Precursor Metal–Organic Chains. The Journal of Physical Chemistry C 120 (31), 17418–17426 (2016).

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Zeitschriftenartikel

Gonzalez Florez, A.I., E. Mucha, D.-S. Ahn, S. Gewinner, W. Schöllkopf, K. Pagel und G.von Helden: Charge-induced unzipping of isolated proteins to a defined secondary structure. Angewandte Chemie International Edition 55 (10), 3295–3299 (2016).

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Zeitschriftenartikel

Gonzalez Florez, A.I., E. Mucha, D.-S. Ahn, S. Gewinner, W. Schöllkopf, K. Pagel und G.von Helden: Charge-induced unzipping of isolated proteins to a defined secondary structure. Angewandte Chemie 128 (10), 3356–3360 (2016).

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Zeitschriftenartikel

Göth, M., F. Lermyte, X.J. Schmitt, S. Warnke, G.von Helden, F. Sobott und K. Pagel: Gas-phase microsolvation of ubiquitin: investigation of crown ether complexation sites using ion mobility-mass spectrometry. Analyst 141 (19), 5502–5510 (2016).

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Zeitschriftenartikel

Green, B., S. Kovalev, V. Asgekar, G. Geloni, U. Lehnert, T. Golz, M. Kuntzsch, C. Bauer, J. Hauser, J. Voigtlaender, B. Wustmann, I. Koesterke, M. Schwarz, M. Freitag, A. Arnold, J. Teichert, M. Justus, W. Seidel, C. Ilgner, N. Awari, D. Nicoletti, S. Kaiser, Y. Laplace, S. Rajasekaran, L. Zhang, S. Winnerl, H. Schneider, G. Schay, I. Lorincz, A.A. Rauscher, I. Radu, S.F. Maehrlein, T.H. Kim, J.S. Lee, T. Kampfrath, S. Wall, J. Heberle, A. Malnasi-Csizmadia, A. Steiger, A.S. Müller, M. Helm, U. Schramm, T. Cowan, P. Michel, A. Cavalleri, A.S. Fisher, N. Stojanovic und M. Gensch: High-Field High-Repetition-Rate Sources for the Coherent THz Control of Matter. Scientific Reports 6, 22256 (2016).

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Zeitschriftenartikel

Hahn, M.W., J. Jelic, E. Berger, K. Reuter, A. Jentys und J.A. Lercher: Role of Amine Functionality for CO₂ Chemisorption on Silica. The Journal of Physical Chemistry B 120 (8), 1988–1995 (2016).

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Zeitschriftenartikel

Harvey, D.J., C.A. Scarff, M. Edgeworth, W.B. Struwe, K. Pagel, K. Thalassinos, M. Crispin und J. Scrivens: Travelling-wave ion mobility and negative ion fragmentation of high-mannose N-glycans. Journal of Mass Spectrometry 51 (3), 219–235 (2016).

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Zeitschriftenartikel

He, T., X. Ren, Y.-B. Wang, J.-P. Nie und K.-D. Cai: Electrochemical performance of reduced graphene oxide in Spiro-(1,1')-bipyrrolidinium tetrafluoroborate electrolyte. International Journal of Energy Research 40 (8), 1105–1111 (2016).

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Zeitschriftenartikel

He, T., M. Xiangling, N. Junping, Y. Tong und K.-D. Cai: Thermally Reduced Graphene Oxide Electrochemically Activated by Bis-Spiro Quaternary Alkyl Ammonium for Capacitors. ACS Applied Materials and Interfaces 8 (22), 13865–13870 (2016).

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Zeitschriftenartikel

Heggen, M., S. Penner, M. Friedrich, R.E. Dunin-Borkowski und M. Armbrüster: Formation of ZnO Patches on ZnPd/ZnO during Methanol Steam Reforming: A Strong Metal–Support Interaction Effect? The Journal of Physical Chemistry C 120 (19), 10460–10465 (2016).

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Zeitschriftenartikel

Heine, N. und K.R. Asmis: Corrigendum to "Cryogenic Ion Trap Vibrational Spectroscopy of Hydrogen-Bonded Clusters Relevant to Atmospheric Chemistry (International Reviews in Physical Chemistry, 2015, Vol. 34, No. 1, 1–34)". International Reviews in Physical Chemistry 35 (3), 507–507 (2016).

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Zeitschriftenartikel

Helbig, C., A.M. Bradshaw, C. Kolotzek, A. Thorenz und A. Tuma: Supply risks associated with CdTe and CIGS thin-film photovoltaics. Applied Energy 178, 422–433 (2016).

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Zeitschriftenartikel

Helden, G.von, W. Schöllkopf und K. Pagel: Strukturen von Peptidaggregaten erforscht mit dem neuen Freie-Elektronen-Laser des Fritz-Haber-Instituts. Jahrbuch / Max-Planck-Gesellschaft 9950614 (2016).

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Zeitschriftenartikel

Hinneburg, H., J. Hofmann, W.B. Struwe, A. Thader, F. Altmann, D. Varón Silva, P.H. Seeberger, K. Pagel und D. Kolarich: Distinguishing N-acetylneuraminic acid linkage isomers on glycopeptides by ion mobility-mass spectrometry. Chemical Communications 52 (23), 4381–4384 (2016).

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Zeitschriftenartikel

Hoffmann, W., M. Marianski, S. Warnke, J. Seo, C. Baldauf, G.von Helden und K. Pagel: Assessing the stability of alanine-based helices by conformer-selective IR spectroscopy. Physical Chemistry Chemical Physics 18 (29), 19950–19954 (2016).

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Zeitschriftenartikel

Huang, X., T. Jones, H. Fan und M.G. Willinger: Atomic-Scale Observation of Irradiation-Induced Surface Oxidation by In Situ Transmission Electron Microscopy. Advanced Materials Interfaces 3 (22), 1600751 (2016).

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Zeitschriftenartikel

Huang, X., Y. Yongqiang, T. Jones, H. Fan, L. Wang, J. Xia, Z.-J. Wang, L.D. Shao, X.M. Meng und M.G. Willinger: In Situ Formation of Crystallographically Oriented Semiconductor Nanowire Arrays via Selective Vaporization for Optoelectronic Applications. Advanced Materials 28 (35), 7603–7612 (2016).

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Zeitschriftenartikel

Janušonis, J., C.L. Chang, A. Gatilova, V.S. Vlasov, A.M. Lomonosov, V. Temnov und R.I. Tobey: Ultrafast magnetoelastic probing of surface acoustic transients. Physical Review B 94 (2), 024415 (2016).

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Zeitschriftenartikel

Janušonis, J., T. Jansma, C.L. Chang, Q. Liu, A. Gatilova, A.M. Lomonosov, V. Shalagatskyi, T. Pezeril, V. Temnov und R.I. Tobey: Transient Grating Spectroscopy in Magnetic Thin Films: Simultaneous Detection of Elastic and Magnetic Dynamics. Scientific Reports 6, 29143 (2016).

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Zeitschriftenartikel

Johnson, B., R. Chinmoy, M. Greiner, R. Arrigo, M.E. Schuster, B. Höpfner, M. Gorgoi, I. Lauermann, M.G. Willinger, A. Knop-Gericke und R. Schlögl: Characterization of Platinum and Iridium Oxyhydrate Surface Layers from Platinum and Iridium Foils. ChemSusChem 9 (13), 1634–1646 (2016).

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Zeitschriftenartikel

Jones, T., R. Wyrwich, S. Böcklein, T.C.R. Rocha, E. Carbonio, A. Knop-Gericke, R. Schlögl, S. Günther, J. Wintterlin und S. Piccinin: Oxidation of Ethylene on Oxygen Reconstructed Silver Surfaces. The Journal of Physical Chemistry C 120 (50), 28630–28638 (2016).

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Zeitschriftenartikel

Kaichev, V.V., Y.A. Chesalov, A.A. Saraev, A. Klyushin, A. Knop-Gericke, T.V. Andrushkevich und V.I. Bukhtiyarov: Redox mechanism for selective oxidation of ethanol over monolayer V₂O₅/TiO₂ catalysts. Journal of Catalysis 338, 82–93 (2016).

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Zeitschriftenartikel

Kaichev, V.V., D. Teschner, A.A. Saraev, S.S. Kosolobov, A.Y. Gladky, I.P. Prosvirin, N.A. Rudina, A.B. Ayupov, R. Blume, M. Hävecker, A. Knop-Gericke, R. Schlögl, A.V. Latyshev und V.I. Bukhtiyarov: Evolution of self-sustained kinetic oscillations in the catalytic oxidation of propane over a nickel foil. Journal of Catalysis 324, 23–33 (2016).

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Zeitschriftenartikel

Kaluza, P.F. und M. Inoue: Design of artificial genetic regulatory networks with multiple delayed adaptive responses. The European Physical Journal B 89 (6), 156 (2016).

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Zeitschriftenartikel

Kandemir, T., M. Friedrich, S.F. Parker, F. Studt, D. Lennon, R. Schlögl und M. Behrens: Different routes to methanol: inelastic neutron scattering spectroscopy of adsorbates on supported copper catalysts. Physical Chemistry Chemical Physics 18 (26), 17253–17258 (2016).

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Zeitschriftenartikel

Kapral, R. und A.S. Mikhailov: Stirring a fluid at low Reynolds numbers: Hydrodynamic collective effects of active proteins in biological cells. Physica D 318-319, 100–104 (2016).

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Zeitschriftenartikel

Karakalos, S., Y. Xu, F. Cheenicode Kabeer, W. Chen, J.C.F. Rodríguez-Reyes, A. Tkatchenko, E. Kaxiras, R.J. Madix und C.M. Friend: Noncovalent Bonding Controls Selectivity in Heterogeneous Catalysis: Coupling Reactions on Gold. Journal of the American Chemical Society 138 (46), 15243–15250 (2016).

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Zeitschriftenartikel

Karan, S., N. Li, Y. Zhang, Y. He, I.-P. Hong, H. Song, J.-T. Lü, Y. Wang, L. Peng, K. Wu, G.S. Michelitsch, R.J. Maurer, K. Diller, K. Reuter, A. Weismann und R. Berndt: Spin Manipulation by Creation of Single-Molecule Radical Cations. Physical Review Letters 116 (2), 027201 (2016).

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Zeitschriftenartikel

Karra, M., K. Sharma, B. Friedrich, S. Kais und D. Herschbach: Prospects for quantum computing with an array of ultracold polar paramagnetic molecules. The Journal of Chemical Physics 144 (9), 094301 (2016).

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pre-print

Zeitschriftenartikel

Kast, P., M. Friedrich, F. Girgsdies, J. Kröhnert, D. Teschner, T. Lunkenbein, M. Behrens und R. Schlögl: Strong metal-support interaction and alloying in Pd/ZnO catalysts for CO oxidation. Catalysis Today 260, 21–31 (2016).

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Zeitschriftenartikel

Kim, L.Y., J.H. Lee, H.A. Kim, S.K. Kwak, B. Friedrich und B.S. Zhao: Effect of rotational-state-dependent molecular alignment on the optical dipole force. Physical Review A 94 (1), 013428 (2016).

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Zeitschriftenartikel

Kirsch, H., Y. Tong und R.K. Campen: Experimental Characterization of CCH(ads) and CCH₂(ads) during the Thermal Decomposition of Methane and Ethylene on Ru(0 0 0 1). ChemCatChem 8 (4), 728–735 (2016).

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