Publications

Journal Article

Ferreira, A.R., K. Reuter and 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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Ferreira, A.R., K. Reuter and 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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Journal Article

Flores-Huerta, A.G., A. Tkatchenko and 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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Journal Article

Foglia, L., L. Bogner, M. Wolf and 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

Journal Article

Foglia, L., M. Wolf and 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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Journal Article

Frank, B., Z. Xie, K. Friedel Ortega, M. Scherzer, R. Schlögl and 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

Journal Article

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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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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Friedel Ortega, K., R. Arrigo, B. Frank, R. Schlögl and 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

Journal Article

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

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Friedrich, B. and 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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Fujimori, Y., X. Zhao, X. Shao, S.V. Levchenko, N. Nilius, M. Sterrer and 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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Journal Article

Galván, C.Á., J. Schumann, M. Behrens, J.L.G. Fierro, R. Schlögl and 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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Journal Article

Gatla, S., D. Aubert, G. Agostini, O. Mathon, S. Pascarelli, T. Lunkenbein, M.G. Willinger and 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

Journal Article

Genuzio, F., A. Sala, T. Schmidt, D. Menzel and 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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Journal Article

Ghalgaoui, A., N. Doudin, F. Calaza, S. Surnev and 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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Journal Article

Gonzalez Florez, A.I., E. Mucha, D.-S. Ahn, S. Gewinner, W. Schöllkopf, K. Pagel and 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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Gonzalez Florez, A.I., E. Mucha, D.-S. Ahn, S. Gewinner, W. Schöllkopf, K. Pagel and 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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Göth, M., F. Lermyte, X.J. Schmitt, S. Warnke, G.von Helden, F. Sobott and 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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Journal Article

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 and M. Gensch: High-Field High-Repetition-Rate Sources for the Coherent THz Control of Matter. Scientific Reports 6, 22256 (2016).

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Journal Article

Hahn, M.W., J. Jelic, E. Berger, K. Reuter, A. Jentys and 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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Journal Article

Harvey, D.J., C.A. Scarff, M. Edgeworth, W.B. Struwe, K. Pagel, K. Thalassinos, M. Crispin and 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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Journal Article

He, T., X. Ren, Y.-B. Wang, J.-P. Nie and 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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He, T., M. Xiangling, N. Junping, Y. Tong and 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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Journal Article

Heggen, M., S. Penner, M. Friedrich, R.E. Dunin-Borkowski and 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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Journal Article

Heine, N. and 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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Journal Article

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

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Journal Article

Helden, G.von, W. Schöllkopf and 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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Hinneburg, H., J. Hofmann, W.B. Struwe, A. Thader, F. Altmann, D. Varón Silva, P.H. Seeberger, K. Pagel and 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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Journal Article

Hoffmann, W., M. Marianski, S. Warnke, J. Seo, C. Baldauf, G.von Helden and 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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Journal Article

Huang, X., T. Jones, H. Fan and 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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Journal Article

Huang, X., Y. Yongqiang, T. Jones, H. Fan, L. Wang, J. Xia, Z.-J. Wang, L.D. Shao, X.M. Meng and 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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Journal Article

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

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Janušonis, J., T. Jansma, C.L. Chang, Q. Liu, A. Gatilova, A.M. Lomonosov, V. Shalagatskyi, T. Pezeril, V. Temnov and 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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Journal Article

Johnson, B., R. Chinmoy, M. Greiner, R. Arrigo, M.E. Schuster, B. Höpfner, M. Gorgoi, I. Lauermann, M.G. Willinger, A. Knop-Gericke and 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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Journal Article

Jones, T., R. Wyrwich, S. Böcklein, T.C.R. Rocha, E. Carbonio, A. Knop-Gericke, R. Schlögl, S. Günther, J. Wintterlin and 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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Journal Article

Kaichev, V.V., Y.A. Chesalov, A.A. Saraev, A. Klyushin, A. Knop-Gericke, T.V. Andrushkevich and 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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Journal Article

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 and 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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Journal Article

Kaluza, P.F. and 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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Journal Article

Kandemir, T., M. Friedrich, S.F. Parker, F. Studt, D. Lennon, R. Schlögl and 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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Kapral, R. and 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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Karakalos, S., Y. Xu, F. Cheenicode Kabeer, W. Chen, J.C.F. Rodríguez-Reyes, A. Tkatchenko, E. Kaxiras, R.J. Madix and 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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Journal Article

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 and R. Berndt: Spin Manipulation by Creation of Single-Molecule Radical Cations. Physical Review Letters 116 (2), 027201 (2016).

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Journal Article

Karra, M., K. Sharma, B. Friedrich, S. Kais and 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

Journal Article

Kast, P., M. Friedrich, F. Girgsdies, J. Kröhnert, D. Teschner, T. Lunkenbein, M. Behrens and 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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Journal Article

Kim, L.Y., J.H. Lee, H.A. Kim, S.K. Kwak, B. Friedrich and 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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Kirsch, H., Y. Tong and 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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