Publications

Journal Article

Palagin, D. and K. Reuter: MSi₂₀H₂₀ Aggregates: From Simple Building Blocks to Highly Magnetic Functionalized Materials. ACS Nano 7 (2), 1763–1768 (2013).

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Palagin, D., T. Teufl and K. Reuter: Multidoping of Si Cages: High Spin States beyond the Single-Dopant Septet Limit. The Journal of Physical Chemistry C 117 (31), 16182–16186 (2013).

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Journal Article

Pan, Y., Y. Cui, N. Nilius and H.-J. Freund: Gold Adsorption on CeO₂ Thin Films Grown on Ru(0001). The Journal of Physical Chemistry C 117 (42), 21879–21885 (2013).

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Pan, Y., N. Nilius, H.-J. Freund, J. Paier, C. Penschke and J. Sauer: Titration of Ce³⁺ Ions in the CeO₂(111) Surface by Au Adatoms. Physical Review Letters 111 (20), 206101 (2013).

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Papaefthimiou, V., I. Florea, W. Baaziz, I.M. Janowska, D. Begin, W.H. Doh, D. Begin, R. Blume, A. Knop-Gericke, O. Ersen, C. Pham-Huu and S. Zafeiratos: Effect of the Specific Surface Sites on the Reducibility of α-Fe₂O₃/Graphene Composites by Hydrogen. The Journal of Physical Chemistry C 117 (39), 20313–20319 (2013).

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Papaefthimiou, V., M. Shishkin, D.K. Niakolas, M. Athanasiou, Y.T. Law, R. Arrigo, D. Teschner, M. Hävecker, A. Knop-Gericke, R. Schlögl, T. Ziegler, S.G. Neophytides and S. Zafeiratos: On the Active Surface State of Nickel-Ceria Solid Oxide Fuel Cell Anodes During Methane Electrooxidation. Advanced Energy Materials 3 (6), 762–769 (2013).

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Parapat, R.Y., M. Wijaya, M. Schwarze, S. Selve, M.G. Willinger and R. Schomäcker: Particle shape optimization by changing from an isotropic to an anisotropic nanostructure: preparation of highly active and stable supported Pt catalysts in microemulsions. Nanoscale 5 (2), 796–805 (2013).

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Pashkin, A., A. Sell, T. Kampfrath and R. Huber: Electric and magnetic terahertz nonlinearities resolved on the sub-cycle scale. New Journal of Physics 15 (6), 065003 (2013).

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Patera, L., C. Africh, R. Weatherup, R. Blume, S. Bhardwaj, C. Castellarin-Cudia, A. Knop-Gericke, R. Schlögl, G. Comelli, S. Hofmann and C. Cepek: In Situ Observations of the Atomistic Mechanisms of Ni Catalyzed Low Temperature Graphene Growth. ACS Nano 7 (9), 7901–7912 (2013).

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Peter, M., S. Adamovski, J.M. Flores Camacho and S. Schauermann: Energetics of Elementary Reaction Steps Relevant for CO Oxidation: CO and O₂ Adsorption on Model Pd Nanoparticles and Pd(111). Faraday Discussion 162, 341–354 (2013).

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Peter, M., J.M. Flores Camacho, S. Adamovski, L.K. Ono, K.-H. Dostert, C. O'Brien, B. Roldan Cuenya, S. Schauermann and H.-J. Freund: Trends in the Binding Strength of Surface Species on Nanoparticles: How Does the Adsorption Energy Scale with the Particle Size? Angewandte Chemie International Edition 52 (19), 5175–5179 (2013).

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Peter, M., J.M. Flores Camacho, S. Adamovski, L.K. Ono, K.-H. Dostert, C. O'Brien, B. Roldan Cuenya, S. Schauermann and H.-J. Freund: Trends in der Bindungsstärke von Oberflächenspezies auf Nanopartikeln: Wie verändert sich die Adsorptionsenergie mit der Partikelgröße? Angewandte Chemie 125 (19), 5282–5287 (2013).

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Pitkänen, H., M. Alatalo, A. Puisto, M. Ropo, K. Kokko and L. Vitos: Ab initio study of the surface properties of austenitic stainless steel alloys. Surface Science 609, 190–194 (2013).

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Reilly, A. and A. Tkatchenko: Seamless and Accurate Modeling of Organic Molecular Materials. The Journal of Physical Chemistry Letters 4 (6), 1028–1033 (2013).

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Reilly, A. and A. Tkatchenko: Understanding the role of vibrations, exact exchange, and many-body van der Waals interactions in the cohesive properties of molecular crystals. The Journal of Chemical Physics 139 (2), 024705 (2013).

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Ren, X., P. Rinke, G.E. Scuseria and M. Scheffler: Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks. Physical Review B 88 (3), 035120 (2013).

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Rettig, L., R. Cortés, J.-H. Chu, I.R. Fisher, F. Schmitt, P.S. Kirchmann, R.G. Moore, Z.-X. Shen, M. Wolf and U. Bovensiepen: Time-resolved Fermi surface mapping of the charge density wave material DyTe₃. EPJ Web of Conferences 41, 03025 (2013).

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Rettig, L., R. Cortés, H.S. Jeevan, P. Gegenwart, T. Wolf, J. Fink and U. Bovensiepen: Electron-phonon coupling in 122 Fe pnictides analyzed by femtosecond time-resolved photoemission. New Journal of Physics 15 (8), 083023 (2013).

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Richter, N., S. Sicolo, S.V. Levchenko, J. Sauer and M. Scheffler: Concentration of Vacancies at Metal Oxide Surfaces: Case Study of MgO(100). Physical Review Letters 111 (4), 045502 (2013).

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Ritter, C., M.Z. Baykara, B. Stegemann, M. Heyde, K. Rademann, J. Schroers and U.D. Schwarz: Nonuniform friction-area dependency for antimony oxide surfaces sliding on graphite. Physical Review B 88 (4), 045422 (2013).

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Rodemerck, U., M. Holeňa, E. Wagner, Q. Smejkal, A. Barkschat and M. Baerns: Catalyst Development for CO₂ Hydrogenation to Fuels. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 5 (7), 1948–1955 (2013).

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Roeters, S.J., C.N. Van Dick, A. Torres-Knoop, E.H.G. Backus, R.K. Campen, M. Bonn and S. Woutersen: Determining in situ protein conformation and orientation from the amide-I sum-frequency generation spectrum: Theory and experiment. The Journal of Physical Chemistry A 117 (29), 6311–6322 (2013).

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Roldan Cuenya, B.: Metal Nanoparticle Catalysts Beginning to Shape-up. Accounts of Chemical Research 46 (8), 1682–1691 (2013).

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Rossi, M., M. Scheffler and V. Blum: Impact of Vibrational Entropy on the Stability of Unsolvated Peptide Helices with Increasing Length. The Journal of Physical Chemistry B 117 (18), 5574–5584 (2013).

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Rossi, M., A. Tkatchenko, S.B. Rempe and S. Varma: The role of methyl-induced polarization in ion binding. Proceedings of the National Academy of Sciences of the United States of America 110 (32), 12978–12983 (2013).

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Roth, F., P. Cudazzo, B. Mahns, M. Gatti, J. Bauer, S. Hampel, M. Nohr, H. Berger, M. Knupfer and A. Rubio: Loss spectroscopy of molecular solids: combining experiment and theory. New Journal of Physics 15 (12), 125024 (2013).

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Rozzi, C.A., S.M. Falke, N. Spallanzani, A. Rubio, E. Molinari, D. Brida, M. Maiuri, G. Cerullo, H. Schramm, J. Christoffers and C. Lienau: Quantum coherence controls the charge separation in a prototypical artificial light-harvesting system. Nature Communications 4, 1602 (2013).

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Sajadi, M. and N.P. Ernsting: Excess Dynamic Stokes Shift of Molecular Probes in Solution. The Journal of Physical Chemistry B 117 (25), 7675–7684 (2013).

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Santra, B., J. Klimeš, A. Tkatchenko, D. Alfé, B. Slater, A. Michaelides, R. Car and M. Scheffler: On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures. The Journal of Chemical Physics 139 (15), 154702 (2013).

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Savara, A.A., W. Ludwig, K.-H. Dostert and S. Schauermann: Temperature dependence of the 2-butene hydrogenation over supported Pd nanoparticles and Pd(111). Journal of Molecular Catalysis A: Chemical 377, 137–142 (2013).

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Savara, A.A., W. Ludwig and S. Schauermann: Kinetic Evidence for a Non-Langmuir-Hinshelwood Surface Reaction: H/D Exchange over Pd Nanoparticles and Pd(111). ChemPhysChem 14 (8), 1686–1695 (2013).

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Savoca, M., A. Lagutschenkov, J. Langer, D.J. Harding, A. Fielicke and O. Dopfer: Vibrational Spectra and Structures of Neutral Si_mC_n Clusters (m + n = 6): Sequential Doping of Silicon Clusters with Carbon Atoms. The Journal of Physical Chemistry A 117 (6), 1158–1163 (2013).

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Savoca, M., J. Langer, D.J. Harding, O. Dopfer and A. Fielicke: Incipient chemical bond formation of Xe to a cationic silicon cluster: Vibrational spectroscopy and structure of the Si₄Xe⁺ complex. Chemical Physics Letters 557, 49–52 (2013).

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Schatschneider, B., J.-J. Liang, A. Reilly, N. Marom, G.-X. Zhang and A. Tkatchenko: Electrodynamic response and stability of molecular crystals. Physical Review B 87 (6), 060104 (2013).

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Schatschneider, B., S. Monaco, A. Tkatchenko and J.-J. Liang: Understanding the Structure and Electronic Properties of Molecular Crystals under Pressure: Application of Dispersion Corrected DFT to Oligoacenes. The Journal of Physical Chemistry A 117 (34), 8323–8331 (2013).

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Schauermann, S., N. Nilius, S.K. Shaikhutdinov and H.-J. Freund: Nanoparticles for Heterogeneous Catalysis: New Mechanistic Insights. Accounts of Chemical Research 46 (8), 1673–1681 (2013).

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Schick, D., R. Shayduk, A. Bojahr, M. Herzog, C.K. von Schmising, P. Gaal and M. Bargheer: Ultrafast reciprocal-space mapping with a convergent beam. Journal of Applied Crystallography 46 (5), 1372–1377 (2013).

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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 : Optical-field-induced current in dielectrics. Nature 493 (7430), 70–74 (2013).

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Schleife, A., P. Rinke, F. Bechstedt and C.G. Van de Walle: Enhanced Optical Absorption Due to Symmetry Breaking in TiO_2(1−x)S_2x Alloys. The Journal of Physical Chemistry C 117 (8), 4189–4193 (2013).

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Schlesinger, R., Y. Xu, O.T. Hofmann, S. Winkler, J. Frisch, J. Niederhausen, A. Vollmer, S. Blumstengel, F. Henneberger, P. Rinke, M. Scheffler and N. Koch: Controlling the work function of ZnO and the energy-level alignment at the interface to organic semiconductors with a molecular electron acceptor. Physical Review B 87 (15), 155311 (2013).

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Schlögl, R.: Carbon in catalysis. Advances in Catalysis 56, 103–185 (2013).

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Schlögl, R.: Author Profile Robert Schlögl. Angewandte Chemie International Edition 52 (50), 13140–13141 (2013).

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Schlögl, R.: Autoren-Profil Robert Schlögl. Angewandte Chemie 125 (50), 13378–13379 (2013).

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Schmidt, T., A. Sala, H. Marchetto, E. Umbach and H.-J. Freund: First experimental proof for aberration correction in XPEEM: Resolution, transmission enhancement, and limitation by space charge effects. Ultramicroscopy 126, 23–32 (2013).

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Schnell, M., P. Bunker, G.von Helden, J.-U. Grabow, G. Meijer and A. van der Avoird: Stark Effect in the Benzene Dimer. The Journal of Physical Chemistry A 117 (50), 13775–13778 (2013).

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Schnell, M., U. Erlekam, P. Bunker, G.von Helden, J.-U. Grabow, G. Meijer and A.van der Avoird: Unraveling the internal dynamics of the benzene dimer: a combined theoretical and microwave spectroscopy study. Physical Chemistry Chemical Physics 15 (25), 10207–10223 (2013).

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Schnell, M., U. Erlekam, P. Bunker, G.von Helden, J.-U. Grabow, G. Meijer and A.van der Avoird: Structure of the Benzene Dimer - Governed by Dynamics. Angewandte Chemie International Edition 52 (19), 5180–5183 (2013).

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Schnell, M., U. Erlekam, P. Bunker, G.von Helden, J.-U. Grabow, G. Meijer and A.van der Avoird: Die Struktur des Benzoldimers – die Dynamik gewinnt. Angewandte Chemie 125 (19), 5288–5292 (2013).

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Schott, V., H. Oberhofer, A. Birkner, M. Xu, Y. Wang, M. Muhler, K. Reuter and C. Wöll: Chemical Activity of Thin Oxide Layers: Strong Interactions with the Support Yield a New Thin-Film Phase of ZnO. Angewandte Chemie International Edition 52 (45), 11925–11929 (2013).

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