Publications

Journal Article

Engeldahl, B., M. Özaslan, R. Marschall, M. Rose, S. Kaluza, J. Titus and C. Sprung: Weimar 2015: Catalysing Tomorrow’s Solutions. ChemCatChem 7 (12), 1794–1796 (2015).

MPG.PuRe

Journal Article

Engelhart, D.P., F. Grätz, R. Wagner, H. Haak, G. Meijer, A. Wodtke and T. Schäfer: A new Stark decelerator based surface scattering instrument for studying energy transfer at the gas-surface interface. Review of Scientific Instruments 86 (4), 043306 (2015).

MPG.PuRe

Journal Article

Ernstorfer, R.: Im Fokus ultrakurzer Laser: das Wechselspiel von Elektronen und Kristallstruktur. Jahrbuch / Max-Planck-Gesellschaft 9016928 (2015).

MPG.PuRe

Journal Article

Errami, H., M. Eiswirth, D. Grigoriev, W.M. Seiler, T. Sturm and A. Weber: Detection of Hopf bifurcations in chemical reaction networks using convex coordinates. Journal of Computational Physics 291, 279–302 (2015).

MPG.PuRe

Journal Article

Ertl, G.: Walther Nernst und die Entwicklung der Physikalischen Chemie. Angewandte Chemie 127 (20), 5922–5930 (2015).

MPG.PuRe

Journal Article

Ertl, G. and H.-J. Freund: John T. Yates, Jr. 1935–2015: Pioneer of Modern Surface Science. Angewandte Chemie International Edition 54 (48), 14225–14225 (2015).

MPG.PuRe

Journal Article

Ertl, G. and H.-J. Freund: John T. Yates, Jr. (1935–2015): Pionier der modernen Oberflächenforschung. Angewandte Chemie 127 (48), 14431–14431 (2015).

MPG.PuRe

Journal Article

Fagiani, M.R., L.L. Zeonjuk, T. Esser, D. Gabel, T. Heine, K.R. Asmis and J. Warneke: Opening of an icosahedral boron framework: A combined infrared spectroscopic and computational study. Chemical Physics Letters 625, 48–52 (2015).

MPG.PuRe

Journal Article

Falcone, D., J. Hack, A. Klyushin, A. Knop-Gericke, R. Schlögl and R. Davis: Evidence for the Bifunctional Nature of Pt–Re Catalysts for Selective Glycerol Hydrogenolysis. ACS Catalysis 5 (10), 5679–5695 (2015).

MPG.PuRe

Journal Article

Feiten, F.E., H. Kuhlenbeck and H.-J. Freund: Surface Structure of V₂O₃(0001) – A Combined I/V-LEED + STM Study. The Journal of Physical Chemistry C 119 (40), 22961–22969 (2015).

MPG.PuRe

Journal Article

Feiten, F.E., J. Seifert, J. Paier, H. Kuhlenbeck, H. Winter, J. Sauer and H.-J. Freund: Surface Structure of V₂O₃(0001) Revisited. Physical Review Letters 114 (21), 216101 (2015).

MPG.PuRe

Journal Article

Feng, M., H. Petek, Y. Shi, H. Sun, J. Zhao, F. Calaza, M. Sterrer and H.-J. Freund: Cooperative Chemisorption-Induced Physisorption of CO₂ Molecules by Metal–Organic Chains. ACS Nano 9 (12), 12124–12136 (2015).

MPG.PuRe

Journal Article

Ferreira dos Santos, C., P.S. Gomes, M.M. Almeida, M.G. Willinger, R.-P. Franke, M.H. Fernandes and M.E. Costa: Gold-dotted hydroxyapatite nanoparticles as multifunctional platforms for medical applications. RSC Advances 5 (85), 69184–69195 (2015).

MPG.PuRe

Journal Article

Ferri, N., R.A. DiStasio, A. Ambrosetti, R. Car and A. Tkatchenko: Electronic Properties of Molecules and Surfaces with a Self-Consistent Interatomic van der Waals Density Functional. Physical Review Letters 114 (17), 176802 (2015).

MPG.PuRe

Journal Article

Fichtl, M.B., D. Schlereth, N. Jacobsen, I. Kasatkin, J. Schumann, M. Behrens, R. Schlögl and O. Hinrichsen: Kinetics of deactivation on Cu/ZnO/Al₂O₃ methanol synthesis catalysts. Applied Catalysis A 502, 262–270 (2015).

MPG.PuRe

Journal Article

Fischer, F.D., J. Sauer, X. Yu, J.A. Boscoboinik, S.K. Shaikhutdinov and H.-J. Freund: Ultrathin Ti-Silicate Film on a Ru(0001) Surface. The Journal of Physical Chemistry C 119 (27), 15443–15448 (2015).

MPG.PuRe

Journal Article

Flick, J., M. Ruggenthaler, H. Appel and A. Rubio: Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space. Proceedings of the National Academy of Sciences of the USA 112 (50), 15285–15290 (2015).

MPG.PuRe

pre-print

Journal Article

Freund, H.-J. and G.A. Somorjai: The Frontiers of Catalysis Science and Future Challenges. Catalysis Letters 145 (1), 1–2 (2015).

MPG.PuRe

Journal Article

Friedrich, B.: Fritz Haber und der „Krieg der Chemiker“: Leben und Werk eines umstrittenen Wissenschaftlers. Physik in unserer Zeit 46 (3), 118–125 (2015).

MPG.PuRe

Journal Article

Gao, Q., C. Ranjan, Z. Pavlovic, R. Blume and R. Schlögl: Enhancement of Stability and Activity of MnO_x/Au Electrocatalysts for Oxygen Evolution through Adequate Electrolyte Composition. ACS Catalysis 5 (12), 7265–7275 (2015).

MPG.PuRe

Journal Article

Gao, W. and A. Tkatchenko: Sliding Mechanisms in Multilayered Hexagonal Boron Nitride and Graphene: The Effects of Directionality, Thickness, and Sliding Constraints. Physical Review Letters 114 (09), 096101 (2015).

MPG.PuRe

Journal Article

García-Mota, M., M. Rieger and K. Reuter: Ab initio prediction of the equilibrium shape of supported Ag nanoparticles on α-Al₂O₃(0 0 0 1). Journal of Catalysis 321, 1–6 (2015).

MPG.PuRe

Journal Article

Ghiringhelli, L.M. and S.V. Levchenko: Strengthening gold-gold bonds by complexing gold clusters with noble gases. Inorganic Chemistry Communications 55, 153–156 (2015).

MPG.PuRe

Journal Article

Ghiringhelli, L.M., J. Vybiral, S.V. Levchenko, C. Draxl and M. Scheffler: Big Data of Materials science: Critical Role of the Descriptor. Physical Review Letters 114 (10), 105503 (2015).

MPG.PuRe

Journal Article

Gonchar, A., J.-C. Lian, T. Risse, H.-J. Freund, C. Di Valentin and G. Pacchioni: Characterization of O^--Centers on Single Crystalline MgO(001)-Films. Topics in Catalysis 58 (12-13), 811–823 (2015).

MPG.PuRe

Journal Article

Gonzalez Florez, A.I., D.-S. Ahn, S. Gewinner, W. Schöllkopf and G.von Helden: IR spectroscopy of protonated leu-enkephalin and its 18-crown-6 complex embedded in helium droplets. Physical Chemistry Chemical Physics 17 (34), 21902–21911 (2015).

MPG.PuRe

Journal Article

Greiner, M., T. Jones, B. Johnson, T. Rocha, Z.-J. Wang, M. Armbrüster, M.G. Willinger, A. Knop-Gericke and R. Schlögl: The oxidation of copper catalysts during ethylene epoxidation. Physical Chemistry Chemical Physics 17 (38), 25073–25089 (2015).

MPG.PuRe

Journal Article

Gruner, M.E., W. Keune, B. Roldan Cuenya, C. Weis, J. Landers, S.I. Makarov, D. Klar, M.Y. Hu, E.E. Alp, J. Zhao, M. Krautz, O. Gutfleisch and H. Wende: Element-Resolved Thermodynamics of Magnetocaloric LaFe_13−xSi_x. Physical Review Letters 114 (5), 057202 (2015).

MPG.PuRe

Journal Article

Hansen, K., F. Biegler, R. Ramakrishnan, W. Pronobis, O.A.v. Lilienfeld, K.-R. Müller and A. Tkatchenko: Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space. The Journal of Physical Chemistry Letters 6 (11), 2326–2331 (2015).

MPG.PuRe

Journal Article

Heine, C., M. Hävecker, A. Trunschke, R. Schlögl and M. Eichelbaum: The impact of steam on the electronic structure of the selective propane oxidation catalyst MoVTeNb oxide (orthorhombic M1 phase). Physical Chemistry Chemical Physics 17 (14), 8983–8993 (2015).

MPG.PuRe

Journal Article

Heine, N. and K.R. Asmis: Cryogenic ion trap vibrational spectroscopy of hydrogen-bonded clusters relevant to atmospheric chemistry. International Reviews in Physical Chemistry 34 (1), 1–34 (2015).

MPG.PuRe

Journal Article

Heine, N., M.R. Fagiani and K.R. Asmis: Disentangling the Contribution of Multiple Isomers to the Infrared Spectrum of the Protonated Water Heptamer. The Journal of Physical Chemistry Letters 6 (12), 2298–2304 (2015).

MPG.PuRe

Journal Article

Hellgren, M., F. Caruso, D.R. Rohr, X. Ren, A. Rubio, M. Scheffler and P. Rinke: Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation. Physical Review B 91 (16), 165110 (2015).

MPG.PuRe

Journal Article

Hoffmann, M.J., M. Scheffler and K. Reuter: Multi-lattice Kinetic Monte Carlo Simulations from First Principles: Reduction of the Pd(100) Surface Oxide by CO. ACS Catalysis 5 (2), 1199–1209 (2015).

MPG.PuRe

Journal Article

Hofmann, J., H.S. Hahm, P.H. Seeberger and K. Pagel: Identification of carbohydrate anomers using ion mobility–mass spectrometry. Nature 526 (7572), 241–244 (2015).

MPG.PuRe

supplementary-material

Journal Article

Hofmann, O.T., P. Rinke, M. Scheffler and G. Heimel: Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE. ACS Nano 9 (5), 5391–5404 (2015).

MPG.PuRe

Journal Article

Hogg, P., D. Butera, R. Andrews, E. Gardiner, A. Davis, D. Murphy, R. Baker, J. Thom, V. Chen, B. Luken, J. Wong, C. Aponte-Santamaria, A. Bronowska, C. Baldauf and F. Graeter: The von Willebrand factor A2 domain disulfide bond exists in oxidized and reduced states in the circulation and regulates function. Journal of Thrombosis and Haemostasis 13 (S2), PO669-TUE (2015).

MPG.PuRe

Journal Article

Horn, R. and R. Schlögl: Methane Activation by Heterogeneous Catalysis. Catalysis Letters 145 (1), 23–39 (2015).

MPG.PuRe

Journal Article

Hu, P., M.E. Schuster, Z. Huang, F. Xu, S. Jin, Y. Chen, W. Hua, D.S. Su and X. Tang: The Active Sites of a Rod-Shaped Hollandite DeNO_x Catalyst. Chemistry – A European Journal 21 (27), 5619–5623 (2015).

MPG.PuRe

Journal Article

Huang, X., Z.-J. Wang, G. Weinberg, X.-M. Meng and M.G. Willinger: In Situ Scanning Electron Microscopy Observation of Growth Kinetics and Catalyst Splitting in Vapor–Liquid–Solid Growth of Nanowires. Advanced Functional Materials 25 (37), 5979–5987 (2015).

MPG.PuRe

supplementary-material

Journal Article

Huang, X., Y.-Q. Yu, J. Xia, H. Fan, L. Wang, M.G. Willinger, X.-P. Yang, Y. Jiang, T.-R. Zhang and X.-M. Meng: Ultraviolet photodetectors with high photosensitivity based on type-II ZnS/SnO₂ core/shell heterostructured ribbons. Nanoscale 7 (12), 5311–5319 (2015).

MPG.PuRe

Journal Article

Ihrig, A., J. Wieferink, I.Y. Zhang, M. Ropo, X. Ren, P. Rinke, M. Scheffler and V. Blum: Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory. New Journal of Physics 17 (9), 093020 (2015).

MPG.PuRe

Journal Article

Itkis, D.M., J. Velasco Vélez, A. Knop-Gericke, A. Vyalikh, M.V. Avdeev and L.V. Yashina: Probing Operating Electrochemical Interfaces by Photons and Neutrons. ChemElectroChem 2 (10), 1427–1445 (2015).

MPG.PuRe

Journal Article

Jarvis, S.P., S. Taylor, J.D. Baran, D. Thompson, A. Saywell, B. Mangham, N.R. Champness, J.A. Larsson and P. Moriarty: Physisorption Controls the Conformation and Density of States of an Adsorbed Porphyrin. The Journal of Physical Chemistry C 119 (50), 27982–27994 (2015).

MPG.PuRe

Journal Article

Jeon, H., B. Jeong, J. Joo and J. Lee: Electrocatalytic Oxidation of Formic Acid: Closing the Gap Between Fundamental Study and Technical Applications. Electrocatalysis 6 (1), 20–32 (2015).

MPG.PuRe

Journal Article

Jia, Z.-M., Z.-N. Zeng, R.-X. Li, Z.-Z. Xu and Y. Deng: Control of electron localization in the dissociation of _H₂⁺ and its isotopes with a THz pulse. Chinese Physics B 24 (1), 013204 (2015).

MPG.PuRe

Journal Article

Jin, Z., A. Tkach, F. Casper, V. Spetter, H. Grimm, A. Thomas, T. Kampfrath, M. Bonn, M. Kläui and D. Turchinovich: Accessing the fundamentals of magnetotransport in metals with terahertz probes. Nature Physics 11 (9), 761–766 (2015).

MPG.PuRe

Journal Article

Jones, T., T. Rocha, A. Knop-Gericke, C. Stampfl, R. Schlögl and S. Piccinin: Thermodynamic and spectroscopic properties of oxygen on silver under an oxygen atmosphere. Physical Chemistry Chemical Physics 17 (14), 9288–9312 (2015).

MPG.PuRe

Journal Article

Jones, T., T. Rocha, A. Knop-Gericke, C. Stampfl, R. Schlögl and S. Piccinin: Insights into the electronic structure of the oxygen species active in alkene epoxidation on silver. ACS Catalysis 5 (10), 5846–5850 (2015).

MPG.PuRe