Publications by the Fritz Haber Institute (2001-)

Journal Article (273)

2018
Journal Article
Ali, H., R. Seidel, M.N. Pohl and B. Winter: Molecular species forming at the α-Fe2O3 nanoparticle-aqueous solution interface. Chemical Science 9 (19), 4511–4523 (2018).
Journal Article
Alvarez-Galvan, C., A. Trunschke, H. Falcon, M. Sanchez Sanchez, J.M. Campos-Martín, R. Schlögl and J.L.G. Fierro: Microwave-Assisted Coprecipitation Synthesis of LaCoO3 Nanoparticles and Their Catalytic Activity for Syngas Production by Partial Oxidation of Methane. Frontiers in Energy Research 6, 18 (2018).
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Andersen, M., X. Yu, M. Kick, Y. Wang, C. Wöll and K. Reuter: Infrared Reflection–Absorption Spectroscopy and Density Functional Theory Investigations of Ultrathin ZnO Films Formed on Ag(111). Journal of Physical Chemistry C 122 (9), 4963–4971 (2018).
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Angı, A., R. Sinelnikov, H.H. Heenen, A. Meldrum, J.G.C. Veinot, C. Scheurer, K. Reuter, O. Ashkenazy, D. Azulay, I. Balberg, O. Millo and B. Rieger: The influence of conjugated alkynyl(aryl) surface groups on the optical properties of silicon nanocrystals: photoluminescence through in-gap states. Nanotechnology 29 (35), 355705 (2018).
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Aran Ais, R., D. Gao and B. Roldan Cuenya: Structure- and Electrolyte-Sensitivity in CO2 Electroreduction. Accounts of Chemical Research 51 (11), 2906–2917 (2018).
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Asmis, K.R. and A. Fielicke: Preface: Size-Selected Clusters as Model Systems for Catalysis. Topics in Catalysis 61 (1-2), 1–2 (2018).
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Baghizadeh, A., J.M. Vieira, D.G. Stroppa, M.G. Willinger and V.S. Amaral: Nanoscale analysis of dispersive ferroelectric domains in bulk of hexagonal multiferroic ceramics. Materials Characterization 145, 347–352 (2018).
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Barroo, C., Z.-J. Wang and M.G. Willinger: Environmental SEM as a Surface-Sensitive Tool to Study Reaction Dynamics. Microscopy and Microanalysis 24 (Suppl. 1), 660–661 (2018).
Journal Article
Bayramov, F.B., E.D. Poloskin, A.L. Chernev, V.V. Toporov, M.V. Dubina, C. Sprung, H.K. Lipsanen and B.K. Bairamov: Lifetimes of the Vibrational States of DNA Molecules in Functionalized Complexes of Semiconductor Quantum Dots. Technical Physics Letters 44 (1), 70–72 (2018).
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Bergmann, A., T. Jones, E.M. Moreno, D. Teschner, P. Chernev, M. Gliech, T. Reier, H. Dau and P. Strassser: Unified structural motifs of the catalytically active state of Co(oxyhydr)oxides during the electrochemical oxygen evolution reaction. Nature Catalysis 1 (9), 711–719 (2018).
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Bernal, M., A. Bagger, F. Scholten, I. Sinev, A. Bergmann, M. Ahmadi, J. Rossmeisl and B. Roldan Cuenya: CO2 electroreduction on copper-cobalt nanoparticles: Size and composition effect. Nano Energy 53, 27–36 (2018).
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Birkel, C., W. Zeier, T. Lunkenbein and V. Hlukhyy: Festkörperchemie 2017. Nachrichten aus der Chemie 66 (3), 240–248 (2018).
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Bjelajac, A., R. Petrović, V. Djokic, V. Matolin, M. Vondraček, K. Dembélé, S.M. Moldovan, O. Ersen, G. Socol, I.N. Mihailescu and D. Janaćković: Enhanced absorption of TiO2 nanotubes by N-doping and CdS quantum dots sensitization: insight into the structure. RSC Advances 61 (8), 35073–35082 (2018).
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Böckmann, H., S. Gawinkowski, J. Waluk, M.B. Raschke, M. Wolf and T. Kumagai: Near-Field Enhanced Photochemistry of Single Molecules in a Scanning Tunneling Microscope Junction. Nano Letters 18 (1), 152–157 (2018).
Journal Article
Broch, K., J. Dieterle, F. Branchi, N.J. Hestand, Y. Olivier, H. Tamura, C. Cruz, V.M. Nichols, A. Hinderhofer, D. Beljonne, F.C. Spano, G. Cerullo, C.J. Bardeen and F. Schreiber: Robust singlet fission in pentacene thin films with tuned charge transfer interactions. Nature Communications 9, 954 (2018).
Journal Article
Büchner, C., S.D. Eder, T. Nesse, D. Kuhness, P. Schlexer, G. Pacchioni, J.R. Manson, M. Heyde, B. Holst and H.-J. Freund: Bending Rigidity of 2D Silica. Physical Review Letters 120 (22), 226101 (2018).
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Bukhtiyarov, A.V., D.B. Burueva, I.P. Prosvirin, A. Klyushin, M.A. Panafidin, K.V. Kovtunov, V.I. Bukhtiyarov and I.V. Koptyug: Bimetallic Pd-Au/Highly Oriented Pyrolytic Graphite Catalysts: from Composition to Pairwise Parahydrogen Addition Selectivity. The Journal of Physical Chemistry C 122 (32), 18588–18595 (2018).
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Bukhtiyarov, A., I.P. Prosvirin, A. Klyushin, A. Knop-Gericke and V.I. Bukhtiyarov: In situ formation of the active sites in Pd-Au bimetallic nanocatalysts for CO oxidation: NAP (near ambient pressure) XPS and MS study. Faraday Discussions 208, 255–268 (2018).
Journal Article
Burri, S., P.A. Niklaus, K. Grassow, N. Buchmann and A. Kahmen: Effects of plant productivity and species richness on the drought response of soil respiration in temperate grasslands. PLoS One 13 (12), e0209031 (2018).
Journal Article
Butera, D., F. Passam, L. Ju, K.M. Cook, H. Woon, C. Aponte-Santamaría, E. Gardiner, A.K. Davis, D.A. Murphy, A. Bronowska, B.M. Luken, C. Baldauf, S. Jackson, R. Andrews, F. Gräter and P.J. Hogg: Autoregulation of von Willebrand factor function by a disulfide bond switch. Science Advances 4 (2), 1477 (2018).
Journal Article
Calvo, B., C.P. Marshall, T. Krahl, J. Kröhnert, A. Trunschke, G. Scholz, T. Braun and E. Kemnitz: Comparative study of the strongest solid Lewis acids known: ACF and HS-AlF3. Dalton Transactions 47 (46), 16461–16473 (2018).
Journal Article
Cao, J., Z.-J. Wang, X. Huang, A. Rinaldi, M.T. Greiner, G. Moldovan, W. Joachimi, R. Schlögl and M.G. Willinger: The ESEM as In Situ Platform for the Study of Gas-Solid Interactions. Microscopy and Microanalysis 24 (Suppl. 1), 344–345 (2018).
Journal Article
Carbonio, E., T.C.R. Rocha, A. Klyushin, I. Píš, E. Magnano, S. Nappini, S. Piccinin, A. Knop-Gericke, R. Schlögl and T. Jones: Are multiple oxygen species selective in ethylene epoxidation on silver? Chemical Science 9 (4), 990–998 (2018).
Journal Article
Chakrapani, K., G. Bendt, H. Hajiyani, T. Lunkenbein, M.T. Greiner, L. Masliuk, S. Salamon, J. Landers, R. Schlögl, H. Wende, R. Pentcheva, S. Schulz and M. Behrens: The Role of Composition of Uniform and Highly Dispersed Cobalt Vanadium Iron Spinel Nanocrystals for Oxygen Electrocatalysis. ACS Catalysis 8 (2), 1259–1267 (2018).
Journal Article
Chekhov, A.L., A.I. Stognij, T. Satoh, T.V. Murzina, I. Razdolski and A. Stupakiewicz: Surface Plasmon-Mediated Nanoscale Localization of Laser-Driven sub-Terahertz Spin Dynamics in Magnetic Dielectrics. Nano Letters 18 (5), 2970–2975 (2018).
Journal Article
Chmiela, S., H.E. Sauceda, K.-R. Müller and A. Tkatchenko: Towards exact molecular dynamics simulations with machine-learned force fields. Nature Communications 9 (1), 3887 (2018).
Journal Article
Cramer, J., T. Seifert, A. Kronenberg, F. Fuhrmann, G. Jakob, M. Jourdan, T. Kampfrath and M. Kläui: Complex Terahertz and Direct Current Inverse Spin Hall Effect in YIG/Cu1-xIrx Bilayers Across a Wide Concentration Range. Nano Letters 18 (2), 1064–1069 (2018).
Journal Article
Curtis, F., X. Li, T. Rose, Á. Vázquez-Mayagoitia, S. Bhattacharya, L.M. Ghiringhelli and N. Marom: GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction. Journal of Chemical Theory and Computation 14 (4), 2246–2264 (2018).
Journal Article
Debnath, S., H. Knorke, W. Schöllkopf, S. Zhou, K.R. Asmis and H. Schwarz: Experimental Identification of the Active Site in the Heteronuclear Redox Couples [AlVOx]+./CO/N2O (x=3, 4) by Gas‐Phase IR Spectroscopy. Angewandte Chemie International Edition 57 (25), 7448–7452 (2018).
Journal Article
Debnath, S., H. Knorke, W. Schöllkopf, S. Zhou, K.R. Asmis and H. Schwarz: Experimentelle Bestimmung des aktiven Zentrums im heteronuklearen Redox‐System [AlVOx]+./CO/N2O (x=3, 4) durch Gasphasen‐Infrarotspektroskopie. Angewandte Chemie 130 (25), 7570–7574 (2018).
Journal Article
Deerberg, G., M. Oles and R. Schlögl: Zum Erreichen der Klimaziele sind schnell nachhaltige Lösungen und technische Umsetzungen im großen Maßstab gefragt. Chemie-Ingenieur-Technik 90 (10), 1351–1351 (2018).
Journal Article
Dimitrakopoulou, M., X. Huang, J. Kröhnert, D. Teschner, S. Praetz, C. Schlesiger, W. Malzer, C. Janke, E. Schwab, F. Rosowski, H. Kaiser, S. Schunk, R. Schlögl and A. Trunschke: Insights into structure and dynamics of (Mn,Fe)Ox-promoted Rh nanoparticles. Faraday Discussions 208, 207–225 (2018).
Journal Article
Ding, Y., X. Huang, X. Yi, Y. Qiao, X. Sun, A. Zheng and D.S. Su: A Heterogeneous Metal‐Free Catalyst for Hydrogenation: Lewis Acid–Base Pairs Integrated into a Carbon Lattice. Angewandte Chemie International Edition 57 (42), 13800–13804 (2018).
Journal Article
Ding, Y., X. Huang, X. Yi, Y. Qiao, X. Sun, A. Zheng and D.S. Su: A Heterogeneous Metal‐Free Catalyst for Hydrogenation: Lewis Acid–Base Pairs Integrated into a Carbon Lattice. Angewandte Chemie 130 (42), 13996–14000 (2018).
Journal Article
Ding, Y., A. Klyushin, X. Huang, T. Jones, D. Teschner, F. Girgsdies, T. Rodenas, R. Schlögl and S. Heumann: Cobalt-Bridged Ionic Liquid Polymer on a Carbon Nanotube for Enhanced Oxygen Evolution Reaction Activity. Angewandte Chemie International Edition 57 (13), 3514–3518 (2018).
Journal Article
Ding, Y., A. Klyushin, X. Huang, T. Jones, D. Teschner, F. Girgsdies, T. Rodenas, R. Schlögl and S. Heumann: Ein aktiver und stabiler Cobaltkatalysator für die Sauerstoffentwicklungsreaktion: Polymerisation einer ionischen Flüssigkeit. Angewandte Chemie 130 (13), 3573–3577 (2018).
Journal Article
Dong, Y., O. Korup, J. Gerdts, B. Roldan Cuenya and R. Horn: Microtomography-based CFD modeling of a fixed-bed reactor with an open-cell foam monolith and experimental verification by reactor profile measurements. Chemical Engineering Journal 353, 176–188 (2018).
Journal Article
Döpking, S., C.P. Plaisance, D. Strobusch, K. Reuter, C. Scheurer and S. Matera: Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach. The Journal of Chemical Physics 148 (3), 034102 (2018).
Journal Article
Draxl, C. and M. Scheffler: NOMAD: The FAIR concept for big data-driven materials science. MRS Bulletin 43 (9), 676–682 (2018).
Journal Article
Düngen, P., M. Greiner, K.-H. Böhm, I. Spanos, X. Huang, A.A. Auer, R. Schlögl and S. Heumann: Atomically dispersed vanadium oxides on multiwalled carbon nanotubes via atomic layer deposition: A multiparameter optimization. Journal of Vacuum Science and Technology A 36 (1), 01A126 (2018).
Journal Article
Düngen, P., R. Schlögl and S. Heumann: Non-linear thermogravimetric mass spectrometry of carbon materials providing direct speciation separation of oxygen functional groups. Carbon 130, 614–622 (2018).
Journal Article
Dutta, A., A. Kuzume, V. Kaliginedi, M. Rahaman, I. Sinev, M. Ahmadi, B. Roldan Cuenya, S. Vesztergom and P. Broekmann: Probing the chemical state of tin oxide NP catalysts during CO2 electroreduction: A complementary operando approach. Nano Energy 53, 828–840 (2018).
Journal Article
Ertl, G.: Foreword. Chaos 28 (4), 045002 (2018).
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Ertl, G., M. Zielińska, M. Rajfur and M. Wacławek: Elementary steps in heterogeneous catalysis: The basis for environmental chemistry. Chemistry Didactics Ecology Metrology 22 (1-2), 11–41 (2018).
Journal Article
Esposito, V., L. Rettig, E. Abreu, E.M. Bothschafter, G. Ingold, M. Kawasaki, M. Kubli, G. Lantz, M. Nakamura, J. Rittman, M. Savoini, Y. Tokura, U. Staub, S.L. Johnson and P. Beaud: Photoinduced transitions in magnetoresistive manganites: A comprehensive view. Physical Review B 97 (1), 014312 (2018).
Journal Article
Esposito, V., L. Rettig, E.M. Bothschafter, Y. Deng, C. Dornes, L. Huber, T. Huber, G. Ingold, Y. Inubushi, T. Katayama, T. Kawaguchi, H. Lemke, K. Ogawa, S. Owada, M. Radovic, M. Ramakrishnan, Z. Ristic, V. Scagnoli, Y. Tanaka, T. Togashi, K. Tono, I. Usov, Y.W. Windsor, M. Yabashi, S.L. Johnson, P. Beaud and U. Staub: Dynamics of the photoinduced insulator-to-metal transition in a nickelate film. Structural Dynamics 5 (6), 064501 (2018).
Journal Article
Esser, T.K., H. Knorke, K.R. Asmis, W. Schöllkopf, Q. Yu, C. Qu, J.M. Bowman and M. Kaledin: Deconstructing Prominent Bands in the Terahertz Spectra of H7O3+ and H9O4+: Intermolecular Modes in Eigen Clusters. The Journal of Physical Chemistry Letters 9 (4), 798–803 (2018).
Journal Article
Fan, Y., Y. Wu, X. Huang, G. Clavel, P. Amsalem, N. Koch and N. Pinna: Polarization resistance‐free Mn3O4‐based electrocatalysts for the oxygen reduction reaction. ChemElectroChem 5 (14), 2010–2018 (2018).
Journal Article
Ferrari, P., J. Vanbuel, K. Hansen, P. Lievens, E. Janssens and A. Fielicke: Effect of radiative cooling on the size-dependent stability of small boron clusters. Physical Review A 98 (1), 012501 (2018).
Journal Article
Fischer, J., S. Fuchs, A. Slenczka, M. Karra and B. Friedrich: Microsolvation of porphine molecules in superfluid helium nanodroplets as revealed by optical line shape at the electronic origin. The Journal of Chemical Physics 149 (24), 244306 (2018).
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