Publikationen des Fritz-Haber-Instituts (2001-)
Zeitschriftenartikel (316)
2013
Zeitschriftenartikel
, , R. Arrigo, M.E. Schuster, und : On the Nature of Selective Palladium-Based Nanoparticles on Nitrogen-Doped Carbon Nanotubes for the Direct Synthesis of H2O2. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 5 (7), 1899–1905 (2013).
Zeitschriftenartikel
, A. Tkatchenko und : Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional. Journal of Chemical Theory and Computation 9 (8), 3473–3478 (2013).
Zeitschriftenartikel
, , , und B. Roldan Cuenya: Long-Range Segregation Phenomena in Shape-Selected Bimetallic Nanoparticles: Chemical State Effects. ACS Nano 7 (10), 9195–9204 (2013).
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, , W. Ludwig, S. Schauermann und : Tuning the Surface Chemistry of Pd by Atomic C and H: A Microscopic Picture. Chemistry-a European Journal 19 (4), 1335–1345 (2013).
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Amakawa, K., Y.V. Kolen’ko, , M.E. Schuster, L.-I. Csepei, G. Weinberg, S. Wrabetz, R.N. d'Alnoncourt, F. Girgsdies, , R. Schlögl und A. Trunschke: Multifunctionality of Crystalline MoV(TeNb) M1 Oxide Catalysts in Selective Oxidation of Propane and Benzyl Alcohol. ACS Catalysis 3 (6), 1103–1113 (2013).
Zeitschriftenartikel
Amakawa, K., L. Sun, C. Guo, M. Hävecker, P. Kube, , , , , K. Hermann, R. Schlögl und A. Trunschke: How Strain Affects the Reactivity of Surface Metal Oxide Catalysts. Angewandte Chemie International Edition 52 (51), 13553–13557 (2013).
Zeitschriftenartikel
Amakawa, K., L. Sun, C. Guo, M. Hävecker, P. Kube, , , , , K. Hermann, R. Schlögl und A. Trunschke: Der Einfluss von strukturellen Spannungen auf die Reaktivität von getragenen Metalloxidkatalysatoren. Angewandte Chemie 125 (51), 13796–13800 (2013).
Zeitschriftenartikel
Ambrosetti, A., und : van der Waals-Corrected Ab Initio Study of Water Ice–Graphite Interaction. The Journal of Physical Chemistry C 117 (1), 321–325 (2013).
Zeitschriftenartikel
, M. Behrens, , , und : German Catalysis, Celebrated in Weimar. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 5 (6), 1297–1298 (2013).
Zeitschriftenartikel
, M. Behrens, , , , und : The Intermetallic Compound ZnPd and its Role in Methanol Steam Reforming. Catalysis reviews: science and engineering 55 (3), 289–367 (2013).
Zeitschriftenartikel
Arrigo, R., , M.E. Schuster, , E. Stotz, A. Knop-Gericke und R. Schlögl: In Situ Study of the Gas-Phase Electrolysis of Water on Platinum by NAP-XPS. Angewandte Chemie International Edition 52 (44), 11660–11664 (2013).
Zeitschriftenartikel
Arrigo, R., , M.E. Schuster, , E. Stotz, A. Knop-Gericke und R. Schlögl: In-situ-Studie der Gasphasen-Wasserelektrolyse auf Platin mittels NAP-XPS. Angewandte Chemie 125 (44), 11874–11879 (2013).
Zeitschriftenartikel
, , , A. Knop-Gericke, R. Schlögl und : Density functional theory calculations of XPS binding energy shift for nitrogen-containing graphene-like structures. Chemical Communications 49 (25), 2539–2541 (2013).
Zeitschriftenartikel
Atalla, V., , , und : Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach. Physical Review B 88 (16), 165122 (2013).
Zeitschriftenartikel
, S. Hata und : Phase ordering in coupled noisy bistable systems on scale-free networks. Physical Review E 88 (5), 052806 (2013).
Zeitschriftenartikel
, , und A. Rubio: Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible. Scientific Reports 3, 2698 (2013).
Zeitschriftenartikel
und B. Friedrich: Much Polyphony but Little Harmony: Otto Sackur's Groping for a Quantum Theory of Gases. Physics in Perspective 15 (3), 295–319 (2013).
Zeitschriftenartikel
Baldauf, C., K. Pagel, S. Warnke, G.von Helden, , V. Blum und M. Scheffler: How Cations Change Peptide Structure. Chemistry-a European Journal 19 (34), 11224–11234 (2013).
Zeitschriftenartikel
, , , D. Teschner, M. Hävecker, A. Knop-Gericke, , , R. Schlögl und : Methanol Steam Reforming over Indium-Promoted Pt/Al2O3 Catalyst: Nature of the Active Surface. The Journal of Physical Chemistry C 117 (12), 6143–6150 (2013).
Zeitschriftenartikel
, , , , , , , A. Knop-Gericke, R. Schlögl, , und : Tantalum-oxide catalysed chemical vapour deposition of single- and multi-walled carbon nanotubes. RSC Advances 3 (12), 4086–4092 (2013).
Zeitschriftenartikel
und B. Roldan Cuenya: Towards the Understanding of Sintering Phenomena at the Nanoscale: Geometric and Environmental Effects. Topics in Catalysis 56 (15-17), 1542–1559 (2013).
Zeitschriftenartikel
Behrens, M., , , I. Kasatkin, , R. Naumann d'Alnoncourt, , , und R. Schlögl: The effect of Al-doping on ZnO nanoparticles applied as catalyst support. Physical Chemistry Chemical Physics 15 (5), 1374–1381 (2013).
Zeitschriftenartikel
Behrens, M. und R. Schlögl: How to Prepare a Good Cu/ZnO Catalyst or the Role of Solid State Chemistry for the Synthesis of Nanostructured Catalysts. Zeitschrift für anorganische und allgemeine Chemie 639 (15), 2683–2695 (2013).
Zeitschriftenartikel
Behrens, M., S. Zander, , , , , , und R. Schlögl: Performance Improvement of Nano-Catalysts by Promoter-Induced Defects in the Support Material: Methanol Synthesis over Cu/ZnO:Al. Journal of the American Chemical Society 135 (16), 6061–6068 (2013).
Zeitschriftenartikel
, F. Stavale, , , H.-J. Freund, und N. Nilius: Steering the Growth of Metal Ad-particles via Interface Interactions Between a MgO Thin Film and a Mo Support. Advanced Functional Materials 23 (1), 75–80 (2013).
Zeitschriftenartikel
, , , , , , , , , , , , , , , , , , , , M. Wolf, und : Selective Ultrafast Probing of Transient Hot Chemisorbed and Precursor States of CO on Ru(0001). Physical Review Letters 110 (18), 186101 (2013).
Zeitschriftenartikel
Bhattacharya, S., S.V. Levchenko, L.M. Ghiringhelli und M. Scheffler: Stability and metastability of clusters in a reactive atmosphere: Theoretical evidence for unexpected stoichiometries of MgMOx. Physical Review Letters 111 (13), 135501 (2013).
Zeitschriftenartikel
, , , , , , , , , K. Reuter und : In Situ X-Ray Photoelectron Spectroscopy of Model Catalysts: At the Edge of the Gap. Physical Review Letters 110 (11), 117601 (2013).
Zeitschriftenartikel
Blum, V., M. Rossi und M. Scheffler: Konformation und Dynamik von Polypeptidketten aus ersten Prinzipien der Quantenmechanik. Jahrbuch / Max-Planck-Gesellschaft 7291695 (2013).
Zeitschriftenartikel
Boscoboinik, A., X. Yu, B. Yang, S.K. Shaikhutdinov und H.-J. Freund: Building blocks of zeolites on an aluminosilicate ultra-thin film. Microporous and Mesoporous Materials 165, 158–162 (2013).
Zeitschriftenartikel
Boscoboinik, J.A., X. Yu, E. Emmez, B. Yang, S.K. Shaikhutdinov, , und H.-J. Freund: Interaction of Probe Molecules with Bridging Hydroxyls of Two-Dimensional Zeolites: A Surface Science Approach. The Journal of Physical Chemistry C 117 (26), 13547–13556 (2013).
Zeitschriftenartikel
, A. Paarmann, , , , , und R. Ernstorfer: Interband excitation and carrier relaxation as displacive driving force for coherent phonons. EPJ Web of Conferences 41, 04021 (2013).
Zeitschriftenartikel
, A. Paarmann, , , , und R. Ernstorfer: Ultrafast Evolution of the Excited-State Potential Energy Surface of TiO2 Single Crystals Induced by Carrier Cooling. Physical Review Letters 110 (6), 067402 (2013).
Zeitschriftenartikel
Bowlan, J., D.J. Harding, , , G. Meijer und A. Fielicke: Communication: Structure of Magnetic Lanthanide Clusters from Far-IR Spectroscopy: Tbn+ (n = 5-9). The Journal of Chemical Physics 138 (3), 031102 (2013).
Zeitschriftenartikel
Bradshaw, A.M. und : Nuclear fusion and the helium supply problem. Fusion Engineering and Design 88 (9-10), 2694–2697 (2013).
Zeitschriftenartikel
Bradshaw, A.M., und : The potential scarcity of rare elements for the Energiewende. Green: The International Journal of Sustainable Energy Conversion and Storage 3 (2), 93–111 (2013).
Zeitschriftenartikel
, , M. Sterrer, , , und : Measure of Surface Potential at the Aqueous-Oxide Nanoparticle Interface by XPS from a Liquid Microjet. Nano Letters 13 (11), 5403–5407 (2013).
Zeitschriftenartikel
, , und K. Reuter: Ready, Set and no Action: A Static Perspective on Potential Energy Surfaces commonly used in Gas-Surface Dynamics. Zeitschrift für Physikalische Chemie 227, 1523–1542 (2013).
Zeitschriftenartikel
, N. Ferri, A. Tkatchenko, , , , , , und : Exploring the bonding of large hydrocarbons on noble metals: Diindoperylene on Cu(111), Ag(111), and Au(111). Physical Review B 87 (16), 165443 (2013).
Zeitschriftenartikel
, , , M. Eiswirth und : Mechanistic aspects of the linear stabilization of non-stationary electrochemical oscillations. Physical Chemistry Chemical Physics 15 (5), 1437–1442 (2013).
Zeitschriftenartikel
Carrasco, E., A. Aumer, , Y. Fujimori und M. Sterrer: Vibrational spectroscopic observation of ice dewetting on MgO(001). Chemical Communications 49 (39), 4355–4357 (2013).
Zeitschriftenartikel
Caruso, F., P. Rinke, X. Ren, A. Rubio und M. Scheffler: Self-consistent GW: an all-electron implementation with localized basis functions. Physical Review B 88 (7), 075105 (2013).
Zeitschriftenartikel
Caruso, F., D. Rohr, , X. Ren, P. Rinke, A. Rubio und M. Scheffler: Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory. Physical Review Letters 110 (14), 146403 (2013).
Zeitschriftenartikel
Chang, J.Y., , , , , A.L. Walter, , , K. Horn und : Layer-by-Layer Evolution of a Two-Dimensional Electron Gas Near an Oxide Interface. Physical Review Letters 111 (12), 126401 (2013).
Zeitschriftenartikel
, , , A.L. Walter, , K. Horn, und : Uniaxial strain induced band splitting in semiconducting SrTiO3. Physical Review B 87 (11), 115212 (2013).
Zeitschriftenartikel
, , M.G. Willinger, , , , , , und : Crystallographic orientation inhomogeneity and crystal splitting in biogenic calcite. Journal of the Royal Society Interface 10 (86), 20130425 (2013).
Zeitschriftenartikel
, , , , A. Tkatchenko und : Noncovalent Interactions of DNA Bases with Naphthalene and Graphene. Journal of Chemical Theory and Computation 9 (4), 2090–2096 (2013).
Zeitschriftenartikel
, , , , , B. Roldan Cuenya, , , und : Synthesis and characterization of Cu-doped ZnO one-dimensional structures for miniaturized sensor applications with faster response. Sensors and Actuators A 189, 399–408 (2013).
Zeitschriftenartikel
, , M. Härtelt, J.T. Lyon, A. Fielicke, , und : The structures of neutral transition metal doped silicon clusters, SinX (n = 6−9; X = V, Mn). The Journal of Chemical Physics 138 (19), 194301 (2013).