Publications

Journal Article

Papaefthimiou, V., F. Tournus, A. Hillion, G. Khadra, D. Teschner, A. Knop-Gericke, V. Dupuis and S. Zafeiratos: Mixing Patterns and Redox Properties of Iron-Based Alloy Nanoparticles under Oxidation and Reduction Conditions. Chemistry of Materials 26 (4), 1553–1560 (2014).

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Pascua, L., F. Stavale, N. Nilius and H.-J. Freund: Autocatalytic growth of ZnO nanorods from flat Au(111)-supported ZnO films. Physical Chemistry Chemical Physics 16 (48), 26741–26745 (2014).

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Peköz, R., S. Wörner, L.M. Ghiringhelli and D. Donadio: Trends in the Adsorption and Dissociation of Water Clusters on Flat and Stepped Metallic Surfaces. The Journal of Physical Chemistry C 118 (51), 29990–29998 (2014).

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Peng, Y., L.M. Ghiringhelli and H. Appel: A quantum reactive scattering perspective on electronic nonadiabaticity. The European Physical Journal B: Condensend Matter Physics 87 (7), 155 (2014).

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Perini, N., B.C. Batista, A.C.D. Angelo, I.R. Epstein and H. Varela: Long-Lasting Oscillations in the Electro-Oxidation of Formic Acid on PtSn Intermetallic Surfaces. ChemPhysChem 15 (9), 1753–1760 (2014).

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Plodinec, M., A. Gajović, D. Iveković, N. Tomašić, B. Zimmermann, J. Macan, T. Haramina, D.S. Su and M.G. Willinger: Study of thermal stability of (3-aminopropyl) trimethoxy silane-grafted titanate nanotubes for application as nanofillers in polymers. Nanotechnology 25 (43), 435601 (2014).

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Previdello, B.A.F., E.G. Machado and H. Varela: The effect of the alkali metal cation on the electrocatalytic oxidation of formate on platinum. RSC Advances 4 (29), 15271–15275 (2014).

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Raja, I.A., V. Gobre, R.V. Pinjari and S.P. Gejji: Encapsulation of alkyl and aryl derivatives of quaternary ammonium cations within cucurbit[n]uril (n = 6,7) and their inverted diastereomers: density functional investigations. Journal of Molecular Modeling 20 (3), 2138 (2014).

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Reiche, S., R. Blume, X.-C. Zhao, D.S. Su, E.L. Kunkes, M. Behrens and R. Schlögl: Reactivity of mesoporous carbon against water – An in-situ XPS study. Carbon 77, 175–183 (2014).

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Reier, T., D. Teschner, T. Lunkenbein, A. Bergmann, S. Selve, R. Kraehnert, R. Schlögl and P. Strasser: Electrocatalytic Oxygen Evolution on Iridium Oxide: Uncovering Catalyst-Substrate Interactions and Active Iridium Oxide Species. Journal of the Electrochemical Society 161 (9), F876–F882 (2014).

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Reilly, A. and A. Tkatchenko: Role of Dispersion Interactions in the Polymorphism and Entropic Stabilization of the Aspirin Crystal. Physical Review Letters 113 (5), 055701 (2014).

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Reske, R., H. Mistry, F. Behafarid, B. Roldan Cuenya and P. Strasser: Particle Size Effects in the Catalytic Electroreduction of CO₂ on Cu Nanoparticles. Journal of the American Chemical Society 136 (19), 6978–6986 (2014).

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Ressnig, D., T. Corbiere, T. Lunkenbein, U. Braun, M.G. Willinger and M. Antonietti: Decomposition synthesis of tuneable, macroporous carbon foams from crystalline precursors via in situ templating. Journal of Materials Chemistry A 2 (42), 18076–18081 (2014).

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Rettig, L., J.-H. Chu, I.R. Fisher, U. Bovensiepen and M. Wolf: Coherent dynamics of the charge density wave gap in tritellurides. Faraday Discussions 171, 299–310 (2014).

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Ringleb, F., M. Sterrer and H.-J. Freund: Preparation of Pd–MgO model catalysts by deposition of Pd from aqueous precursor solutions onto Ag(0 0 1)-supported MgO(0 0 1) thin films. B. Delmon Honor Special Issue, in press.

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Rocha, T., M. Hävecker, A. Knop-Gericke and R. Schlögl: Promoters in heterogeneous catalysis: the role of Cl on ethylene epoxidation over Ag. Journal of Catalysis 312, 12–16 (2014).

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Rocker, J., D. Cornu, E. Kieseritzky, A. Seiler, O. Bondarchuk, W. Hänsel-Ziegler, T. Risse and H.-J. Freund: High field electron paramagnetic resonance spectroscopy under ultrahigh vacuum conditions - A multipurpose machine to study paramagnetic species on well defined single crystal surfaces. Review of Scientific Instruments 85 (8), 083903 (2014).

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Rocquin, M., M. Henrion, M.G. Willinger, P. Bertani, M.J. Chetcuti, B. Louis and V. Ritleng: One-step synthesis of a highly homogeneous SBA-NHC hybrid material: En route to single-site NHC-metal heterogeneous catalysts with high loadings. Dalton Transactions 43 (9), 3722–3729 (2014).

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Rodriguez-Reyes, J.C.F., C.G.F. Siler, W. Liu, A. Tkatchenko, C.M. Friend and R.J. Madix: van der Waals Interactions Determine Selectivity in Catalysis by Metallic Gold. Journal of the American Chemical Society 136 (38), 13333–13340 (2014).

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Rolles, D., R. Boll , M. Adolph, A. Aquila, C. Bostedt, J.D. Bozek, H.N. Chapman, R. Coffee, N. Coppola, P. Decleva, T. Delmas, S.W. Epp, B. Erk, F. Filsinger, L. Foucar, L. Gumprecht, A. Hömke, T. Gorkhover, L. Holmegaard, P. Johnsson, C. Kaiser, F. Krasniqi, K.-U. Kühnel, J. Maurer, M. Messerschmidt, R. Moshammer, W. Quevedo, I. Rajkovic, A. Rouzée, B. Rudek, I. Schlichting, C. Schmidt, S. Schorb, C.D. Schröter, J. Schulz, H. Stapelfeldt, M. Stener, S. Stern, S. Techert, J. Thøgersen, M.J.J. Vrakking, A. Rudenko, J. Küpper and J. Ullrich: Femtosecond x-ray photoelectron diffraction on gas-phase dibromobenzene molecules. Journal of Physics B 47 (12), 124035 (2014).

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Rossi, M., S. Chutia, M. Scheffler and V. Blum: Validation Challenge of Density-Functional Theory for Peptides—Example of Ac-Phe-Ala₅-LysH⁺. The Journal of Physical Chemistry A 118 (35), 7349–7359 (2014).

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Rubano, A., M. Wolf and T. Kampfrath: Terahertz conductivity and ultrafast dynamics of photoinduced charge carriers in intrinsic 3C and 6H silicon carbide. Applied Physics Letters 105 (3), 032104 (2014).

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Ruggenthaler, M., J. Flick, C. Pellegrini, H. Appel, I.V. Tokatly and A. Rubio: Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory. Physical Review A 90 (1), 012508 (2014).

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Sajadi, M., M. Wolf and T. Kampfrath: Terahertz field enhancement via coherent superposition of the pulse sequences after a single optical-rectification crystal. Applied Physics Letters 104 (9), 091118 (2014).

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Santamaria, L., V.D. Sarno, I. Ricciardi, S. Mosca, M.D. Rosa, G. Santambrogio, P. Maddaloni and P.D. Natale: Assessing the time constancy of the proton-to-electron mass ratio by precision ro-vibrational spectroscopy of a cold molecular beam. Journal of Molecular Spectroscopy 300, 116–123 (2014).

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Santra, B., J. Klimeš, A. Tkatchenko, D. Alfè, B. Slater, A. Michaelides, R. Car and M. Scheffler: Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures. Abstracts of Papers of the American Chemical Society 248, Comp 199 (2014).

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Sarmiento-Pérez, R., S. Botti, C.S. Schnohr, I. Lauermann, A. Rubio and B. Johnson: Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations. Journal of Applied Physics 116 (9), 093703 (2014).

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Journal Article

Savoca, M., J. Langer, D.J. Harding, D. Palagin, K. Reuter, O. Dopfer and A. Fielicke: Vibrational spectra and structures of bare and Xe-tagged cationic Si_nO_m⁺ clusters. The Journal of Chemical Physics 141 (10), 104313 (2014).

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Saywell, A., W. Greń, G. Franc, A. Gourdon, X. Bouju and L. Grill: Manipulating the Conformation of Single Organometallic Chains on Au(111). The Journal of Physical Chemistry C 118 (3), 1719–1728 (2014).

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Schatschneider, B., S. Monaco, J.-J. Liang and A. Tkatchenko: High-Throughput Investigation of the Geometry and Electronic Structures of Gas-Phase and Crystalline Polycyclic Aromatic Hydrocarbons. The Journal of Physical Chemistry C 118 (34), 19964–19974 (2014).

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Schauermann, S., T.L. Silbaugh and C.T. Campbell: Single-Crystal Adsorption Calorimetry on Well-Defined Surfaces: From Single Crystals to Supported Nanoparticles. The Chemical Record 14 (5), 759–774 (2014).

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Schick, D., A. Bojahr, M. Herzog, R. Shayduk, C. von Korff Schmising and M. Bargheer: UDKM1DSIM—A simulation toolkit for 1D ultrafast dynamics in condensed matter. Computer Physics Communications 185 (2), 651–660 (2014).

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Schick, D., M. Herzog, A. Bojahr, W. Leitenberger, A. Hertwig, R. Shayduk and M. Bargheer: Ultrafast lattice response of photoexcited thin films studied by X-ray diffraction. Structural Dynamics 1 (6), 064501 (2014).

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Schick, D., M. Herzog, H. Wen, P. Chen, C. Adamo, P. Gaal, D.G. Schlom, P.G. Evans, Y. Li and M. Bargheer: Localized Excited Charge Carriers Generate Ultrafast Inhomogeneous Strain in the Multiferroic BiFeO₃. Physical Review Letters 112 (9), 097602 (2014).

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Schiffrin, A., T. Paasch-Colberg, N. Karpowicz , V. Apalkov , D. Gerster , S. Mühlbrandt , M. Korbman, J. Reichert , M. Schultze , S. Holzner , J.V. Barth , R. Kienberger, R. Ernstorfer, V.S. Yakovlev , M.I. Stockman and F. Krausz : Addendum: Optical-field-induced current in dielectrics. Nature 507 (7492), 386–387 (2014).

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Schlögl, R.: Systemverständnis für die erfolgreiche Umsetzung der Energiewende. Bunsen-Magazin 16 (6), 257–258 (2014).

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Schmidt, B. and B. Friedrich: Topology of surfaces for molecular Stark energy, alignment, and orientation generated by combined permanent and induced electric dipole interactions. The Journal of Chemical Physics 140 (6), 064317 (2014).

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Schmidt, B. and B. Friedrich: Supersymmetry and eigensurface topology of the planar quantum pendulum. Frontiers in Physics 2, 00037 (2014).

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Schneider, J. and K. Reuter: Efficient Calculation of Microscopic Dissolution Rate Constants: The Aspirin–Water Interface. The Journal of Physical Chemistry Letters 5 (21), 3859–3862 (2014).

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Schneider, J., C. Zheng and K. Reuter: Thermodynamics of surface defects at the aspirin/water interface. The Journal of Chemical Physics 141 (12), 124702 (2014).

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Schöllkopf, W.: Mit Kanonen auf Tröpfchen. Physik Journal 13 (11), 22–23 (2014).

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Schuler, B., W. Liu, A. Tkatchenko, N. Moll, G. Meyer, A. Mistry, D. Fox and L. Gross: Publisher’s Note: Adsorption Geometry Determination of Single Molecules by Atomic Force Microscopy [Phys. Rev. Lett. 111, 106103 (2013)]. Physical Review Letters 112 (12), 129902 (2014).

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Schumann, J., T. Lunkenbein, A. Tarasov, N. Thomas, R. Schlögl and M. Behrens: Synthesis and Characterisation of a Highly Active Cu/ZnO:Al Catalyst. ChemCatChem 6 (10), 2889–2897 (2014).

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Schuster, M.E., D. Teschner, J. Popovic, N. Ohmer, F. Girgsdies, J. Tornow, M.G. Willinger, D. Samuelis, M.M. Titirici, J. Maier and R. Schlögl: Charging and Discharging Behavior of Solvothermal LiFePO₄ Cathode Material Investigated by Combined EELS/NEXAFS Study. Chemistry of Materials 26 (2), 1040–1047 (2014).

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Schwarz, H., M. Geske, C.F. Goldsmith, R. Schlögl and R. Horn: Fuel-rich methane oxidation in a high-pressure flow reactor studied by optical-fiber laser-induced fluorescence, multi-species sampling profile measurements and detailed kinetic simulations. Combustion and Flame 161 (7), 1688–1700 (2014).

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Shao, L., X. Huang, D. Teschner and W. Zhang : Gold Supported on Graphene Oxide: An Active and Selective Catalyst for Phenylacetylene Hydrogenations at Low Temperatures. ACS Catalysis 4 (7), 2369–2373 (2014).

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She, G., X. Huang, L. Jin, X. Qi, L. Mu and W. Shi: SnO₂ Nanoparticle-Coated ZnO Nanotube Arrays for High-Performance Electrochemical Sensors. Special Issue: Functional Nanomaterials for Sustainable Development, in press.

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Shimada, T., N. Kamaraju, C. Frischkorn, M. Wolf and T. Kampfrath: Indication of Te segregation in laser-irradiated ZnTe observed by in situ coherent-phonon spectroscopy. Applied Physics Letters 105 (11), 111908 (2014).

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Shiotari, A., T. Kumagai and M. Wolf: Tip-Enhanced Raman Spectroscopy of Graphene Nanoribbons on Au(111). The Journal of Physical Chemistry C 118 (22), 11806–11812 (2014).

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