Publications

supplementary-material

Zeitschriftenartikel

Mucha, E., M. Lettow, M. Marianski, D. Thomas, W.B. Struwe, D.J. Harvey, G. Meijer, P.H. Seeberger, G.von Helden und K. Pagel: Fucose Migration in Intact Protonated Glycan Ions: A Universal Phenomenon in Mass Spectrometry. Angewandte Chemie International Edition 57 (25), 7440–7443 (2018).

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Zeitschriftenartikel

Mucha, E., M. Lettow, M. Marianski, D. Thomas, W.B. Struwe, D.J. Harvey, G. Meijer, P.H. Seeberger, G.von Helden und K. Pagel: Fucose‐Migration in intakten protonierten Glykan‐Ionen – ein universelles Phänomen in der Massenspektrometrie. Angewandte Chemie 130 (25), 7562–7565 (2018).

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Zeitschriftenartikel

Mucha, E., M. Marianski, F.-F. Xu, D. Thomas, G. Meijer, G.von Helden, P.H. Seeberger und K. Pagel: Unravelling the structure of glycosyl cations via cold-ion infrared spectroscopy. Nature Communications 9, 4174 (2018).

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Zeitschriftenartikel

Mucha, E., M. Marianski, F.-F. Xu, D. Thomas, G. Meijer, G.von Helden, P.H. Seeberger und K. Pagel: Publisher Correction: Unravelling the structure of glycosyl cations via cold-ion infrared spectroscopy. Nature Communications 9, 4767 (2018).

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Zeitschriftenartikel

Murugappan, K., E.M. Anderson, D. Teschner, T. Jones, K. Skorupska und Y. Román-Leshkov: Operando NAP-XPS unveils differences in MoO₃ and Mo₂C during hydrodeoxygenation. Nature Catalysis 1 (12), 960–967 (2018).

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Zeitschriftenartikel

Nardelli, M.B., F.T. Cerasoli, M. Costa, S. Curtarolo, R. De Gennaro, M. Fornari, L. Liyanage, A.R. Supka und H. Wang: PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials. Computational Materials Science 143, 462–472 (2018).

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Zeitschriftenartikel

Němec, P., M. Fiebig, T. Kampfrath und A.V. Kimel: Antiferromagnetic opto-spintronics. Nature Physics 14 (3), 229–241 (2018).

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Zeitschriftenartikel

Nicholson, C., A. Lücke, W.G. Schmidt, M. Puppin, L. Rettig, R. Ernstorfer und M. Wolf: Beyond the molecular movie: dynamics of bands and bonds during a photo-induced phase transition. Science 362 (6416), 821–825 (2018).

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Zeitschriftenartikel

Niederhausen, J., Y. Zhang, F. Cheenicode Kabeer, Y. Garmshausen, B.M. Schmidt, Y. Li, K.-F. Braun, S. Hecht, A. Tkatchenko, N. Koch und S.-W. Hla: Subtle Fluorination of Conjugated Molecules Enables Stable Nanoscale Assemblies on Metal Surfaces. The Journal of Physical Chemistry C 122 (33), 18902–18911 (2018).

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Zeitschriftenartikel

Nong, H.N., T. Reier, H.-S. Oh, M. Gliech, P. Paciok, T.H.T. Vu, D. Teschner, M. Heggen, V. Petkov, R. Schlögl, T. Jones und P. Strasser: A unique oxygen ligand environment facilitates water oxidation in hole-doped IrNiO_x core–shell electrocatalysts. Nature Catalysis 1 (11), 841–851 (2018).

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Zeitschriftenartikel

Olejník, K., T. Seifert, Z. Kašpar, V. Novák, P. Wadley, R.P. Campion, M. Baumgartner, P. Gambardella, P. Němec, J. Wunderlich, J. Sinova, P. Kužel, M. Müller, T. Kampfrath und T. Jungwirth: Terahertz electrical writing speed in an antiferromagnetic memory. Science Advances 4 (3), 3566 (2018).

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Zeitschriftenartikel

Opitz, A.K., C. Rameshan, M. Kubicek, G.M. Rupp, A. Nenning, T. Götsch, R. Blume, M. Hävecker, A. Knop-Gericke, G. Rupprechter, B. Klötzer und J. Fleig: The Chemical Evolution of the La_0.6Sr_0.4CoO_3−δ Surface Under SOFC Operating Conditions and Its Implications for Electrochemical Oxygen Exchange Activity. Topics in Catalysis 61 (20), 2129–2141 (2018).

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Zeitschriftenartikel

Oses, C., E. Gossett, D. Hicks, F. Rose, M.J. Mehl, E. Perim, I. Takeuchi, S. Sanvito, M. Scheffler, Y. Lederer, O. Levy, C. Toher und S. Curtarolo: AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis. Journal of Chemical Information and Modeling 58 (12), 2477–2490 (2018).

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Zeitschriftenartikel

Ouyang, R., S. Curtarolo, E. Ahmetcik, M. Scheffler und L.M. Ghiringhelli: SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates. Physical Review Materials 2 (08), 083802 (2018).

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supplementary-material

Zeitschriftenartikel

Özer, E., I. Sinev, A.M. Mingers, J. Araujo, T. Kropp, M. Mavrikakis, K.J.J. Mayrhofer, B. Roldan Cuenya und P. Strasser: Ir–Ni Bimetallic OER Catalysts Prepared by Controlled Ni Electrodeposition on Ir_poly and Ir(111). Surfaces 1 (1), 165–186 (2018).

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Zeitschriftenartikel

Pacchioni, G. und H.-J. Freund: Controlling the charge state of supported nanoparticles in catalysis: lessons from model systems. Chemical Society Reviews 47 (22), 8474–8502 (2018).

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Zeitschriftenartikel

Pan, Q., L. Li, S.K. Shaikhutdinov und H.-J. Freund: Planar model system of the Phillips (Cr/SiO₂) catalyst based on a well-defined thin silicate film. Journal of Catalysis 357, 12–19 (2018).

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Zeitschriftenartikel

Pan, Q., L. Li, S.K. Shaikhutdinov, Y. Fujimori, M. Hollerer, M. Sterrer und H.-J. Freund: Model systems in heterogeneous catalysis: towards the design and understanding of structure and electronic properties. Faraday Discussions 208, 307–323 (2018).

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Zeitschriftenartikel

Panhwar, G.M., R. Mysyk, T. Rojo, S.K. Shaikhutdinov und O. Bondarchuk: Electrowetting of Ionic Liquid on Graphite: Probing via in Situ Electrochemical X-ray Photoelectron Spectroscopy. Langmuir 34 (48), 14528–14536 (2018).

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Zeitschriftenartikel

Park, D.S., G.J. Rees, H. Wang, D. Rata, A.J. Morris, I.V. Maznichenko, S. Ostanin, A. Bhatnagar, C.J. Choi, R.D.B. Jónsson, K. Kaufmann, R. Kashtiban, M. Walker, C.T. Chiang, E.B. Thorsteinsson, Z. Luo, I.S. Park, J.V. Hanna, I. Mertig, K. Dörr, H.P. Gíslason und C.F. McConville: Electromagnetic Functionalization of Wide‐Bandgap Dielectric Oxides by Boron Interstitial Doping. Advanced Materials 30 (39), 1802025 (2018).

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Zeitschriftenartikel

Paßler, N., C.R. Gubbin, T.G. Folland, I. Razdolski, D.S. Katzer, D.F. Storm, M. Wolf, S.D. Liberato, J.D. Caldwell und A. Paarmann: Strong Coupling of Epsilon-Near-Zero Phonon Polaritons in Polar Dielectric Heterostructures. Nano Letters 18 (7), 4285–4292 (2018).

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Zeitschriftenartikel

Pereira, M.M., E.S. Gomes, A.V. Silva, A.B. Pinar, M.G. Willinger, S. Shanmugam, C. Chizallet, G. Laugel, P. Losch und B. Louis: Biomass-mediated ZSM-5 zeolite synthesis: when self-assembly allows to cross the Si/Al lower limit. Chemical Science 9 (31), 6532–6539 (2018).

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Zeitschriftenartikel

Pérez, L.C.P., N.R. Sahraie, J. Melke, P. Elsässer, D. Teschner, X. Huang, R. Kraehnert, R.J. White, S. Enthaler, P. Strasser und A. Fischer: Polyformamidine-Derived Non-Noble Metal Electrocatalysts for Efficient Oxygen Reduction Reaction. Advanced Functional Materials 28 (22), 1707551 (2018).

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Zeitschriftenartikel

Pielsticker, L., I. Zegkinoglou, N.J. Divins, H. Mistry, Y.-T. Chen, A. Kostka, J.A. Boscoboinik und B. Roldan Cuenya: Segregation Phenomena in Size-Selected Bimetallic CuNi Nanoparticle Catalysts. The Journal of Physical Chemistry B 122 (2), 919–926 (2018).

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Zeitschriftenartikel

Piontek, S., C. Andronescu, A. Zaichenko, B. Konkena, K. Junge Puring, B. Marler, H. Antoni, I. Sinev, M. Muhler, D. Mollenhauer, B. Roldan Cuenya, W. Schuhmann und U.-P. Apfel: Influence of the Fe:Ni Ratio and Reaction Temperature on the Efficiency of (Fe_xNi_1–x)₉S₈ Electrocatalysts Applied in the Hydrogen Evolution Reaction. ACS Catalysis 8 (2), 987–996 (2018).

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Zeitschriftenartikel

Poel, A.P.P.van der, P.C. Zieger, S.Y.T. Meerakker, J. Loreau, A.van der Avoird und H.L. Bethlem: Cold Collisions in a Molecular Synchrotron. Physical Review Letters 120 (3), 033402 (2018).

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Zeitschriftenartikel

Poltavsky, I., L. Zheng, M. Mortazavi und A. Tkatchenko: Quantum tunneling of thermal protons through pristine graphene. The Journal of Chemical Physics 148 (20), 204707 (2018).

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Zeitschriftenartikel

Porer, M., M. Fechner, E.M. Bothschafter, L. Rettig, M. Savoini, V. Esposito, J. Rittmann, M. Kubli, M.J. Neugebauer, E. Abreu, T. Kubacka, T. Huber, G. Lantz, S. Parchenko, S. Grübel, A. Paarmann, J. Noack, P. Beaud, G. Ingold, U. Aschauer, S.L. Johnson und U. Staub: Ultrafast Relaxation Dynamics of the Antiferrodistortive Phase in Ca Doped SrTiO₃. Physical Review Letters 121 (05), 055701 (2018).

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Zeitschriftenartikel

Porterfield, J.P., S. Eibenberger, D. Patterson und M.C. McCarthy: The ozonolysis of isoprene in a cryogenic buffer gas cell by high resolution microwave spectroscopy. Physical Chemistry Chemical Physics 20 (28), 16828–16834 (2018).

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Zeitschriftenartikel

Prieto, M., H. Klemm, F. Xiong, D.M. Gottlob, D. Menzel, T. Schmidt und H.-J. Freund: Water Formation under Silica Thin Films: Real‐Time Observation of a Chemical Reaction in a Physically Confined Space. Angewandte Chemie International Edition 57 (28), 8749–8753 (2018).

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Zeitschriftenartikel

Prieto, M., H. Klemm, F. Xiong, D.M. Gottlob, D. Menzel, T. Schmidt und H.-J. Freund: Wasserbildung unter dünnen Silika-Filmen: Echtzeitbeobachtung einer chemischen Reaktion in einem physikalisch eingegrenzten Raum. Angewandte Chemie 130 (28), 8885–8889 (2018).

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Zeitschriftenartikel

Pufahl, K., N. Paßler, N.B. Grosse, M. Wolf, U. Woggon und A. Paarmann: Controlling nanoscale air-gaps for critically coupled surface polaritons by means of non-invasive white-light interferometry. Applied Physics Letters 113 (16), 161103 (2018).

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Zeitschriftenartikel

Rameshan, C., H. Li, K. Anic, M. Roiaz, V. Pramhaas, R. Rameshan, R. Blume, M. Hävecker, J. Knudsen, A. Knop-Gericke und G. Rupprechter: In situ NAP-XPS Spectroscopy during Methane Dry Reforming on ZrO₂/Pt(111) Inverse Model Catalyst. Journal of Physics: Condensed Matter 30 (26), 264007 (2018).

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Zeitschriftenartikel

Rameshan, C., H. Lorenz, M. Armbrüster, I. Kasatkin, B. Klötzer, T. Götsch, K. Ploner und S. Penner: Impregnated and Co-precipitated Pd–Ga₂O₃, Pd–In₂O₃ and Pd–Ga₂O₃–In₂O₃ Catalysts: Influence of the Microstructure on the CO₂ Selectivity in Methanol Steam Reforming. Catalysis Letters 148 (10), 3062–3071 (2018).

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Zeitschriftenartikel

Rameshan, R., V. Vonk, D. Frank, J. Drnec, S. Penner, A. Garhofer, F. Mittendorfer, A. Stierle und B. Klötzer: Role of Precursor Carbides for Graphene Growth on Ni(111). Scientific Reports 8, 2662 (2018).

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Zeitschriftenartikel

Rasim, K., R. Ramlau, A. Leithe-Jasper, T. Mori, U. Burkhardt, H. Borrmann, W. Schnelle, C. Carbogno, M. Scheffler und Y. Grin: Local Atomic Arrangements and Band Structure of Boron Carbide. Angewandte Chemie International Edition 57 (21), 6130–6135 (2018).

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Zeitschriftenartikel

Rasim, K., R. Ramlau, A. Leithe-Jasper, T. Mori, U. Burkhardt, H. Borrmann, W. Schnelle, C. Carbogno, M. Scheffler und Y. Grin: Local Atomic Arrangements and Band Structure of Boron Carbide. Angewandte Chemie 130 (21), 6238–6243 (2018).

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Zeitschriftenartikel

Razdolski, I., N. Paßler, C.R. Gubbin, C. Winta, R. Cernansky, F. Martini, A. Politi, S.A. Maier, M. Wolf, A. Paarmann und S. De Liberato: Second harmonic generation from strongly coupled localized and propagating phonon-polariton modes. Physical Review B 98 (12), 125425 (2018).

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Zeitschriftenartikel

Riggs, D.L., J. Hofmann, H.S. Hahm, P.H. Seeberger, K. Pagel und R.R. Julian: Glycan Isomer Identification Using Ultraviolet Photodissociation Initiated Radical Chemistry. Analytical Chemistry 90 (19), 11581–11588 (2018).

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Zeitschriftenartikel

Rodenas, T., S. Beeg, I. Spanos, S. Neugebauer, F. Girgsdies, G. Algara-Siller, P.P.M. Schleker, P. Jakes, N. Pfänder, M.G. Willinger, M.T. Greiner, G. Prieto, R. Schlögl und S. Heumann: 2D Metal Organic Framework‐Graphitic Carbon Nanocomposites as Precursors for High‐Performance O₂‐Evolution Electrocatalysts. Advanced Energy Materials 8 (35), 1802404 (2018).

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Zeitschriftenartikel

Roemers‐van Beek, J.M., Z.-J. Wang, A. Rinaldi, M.G. Willinger und L. Lefferts: Initiation of Carbon Nanofiber Growth on Polycrystalline Nickel Foam under Low Ethylene Pressure. ChemCatChem 10 (14), 3107–3114 (2018).

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Zeitschriftenartikel

Rossi, M., V. Kapil und M. Ceriotti: Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation. The Journal of Chemical Physics 148 (10), 102301 (2018).

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Zeitschriftenartikel

Rötzer, M.D., M. Krause, A.S. Crampton, E. Mitterreiter, H.H. Heenen, F.F. Schweinberger, K. Reuter und U. Heiz: Surface chemistry of 1- and 3-Hexyne on Pt(111): desorption, decomposition and dehydrocyclization. The Journal of Physical Chemistry C 122 (8), 4428–4436 (2018).

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Zeitschriftenartikel

Roy, P.K., M. Heyde und A. Heuer: Modelling the atomic arrangement of amorphous 2D silica: a network analysis. Physical Chemistry Chemical Physics 20 (21), 14725–14739 (2018).

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Zeitschriftenartikel

Saini, S., D. Sarker, P. Basera, S.V. Levchenko, L.M. Ghiringhelli und S. Bhattacharya: Structure and Electronic Properties of Transition-Metal/Mg Bimetallic Clusters at Realistic Temperatures and Oxygen Partial Pressures. The Journal of Physical Chemistry C 122 (29), 16788–16794 (2018).

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Zeitschriftenartikel

Sarker, P., T. Harrington, C. Toher, C. Oses, M. Samiee, J.-P. Maria, D.W. Brenner, K.S. Vecchio und S. Curtarolo: High-entropy high-hardness metal carbides discovered by entropy descriptors. Nature Communications 9 (1), 4980 (2018).

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Zeitschriftenartikel

Saveleva, V.A., L. Wang, D. Teschner, T. Jones, A.S. Gago, K.A. Friedrich, S. Zafeiratos, R. Schlögl und E.R. Savinova: Operando Evidence for a Universal Oxygen Evolution Mechanism on Thermal and Electrochemical Iridium Oxides. The Journal of Physical Chemistry Letters 9 (11), 3154–3160 (2018).

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supplementary-material

Zeitschriftenartikel

Schatz, K., B. Friedrich, S. Becker und B. Schmidt: Symmetric tops in combined electric fields: Conditional quasisolvability via the quantum Hamilton-Jacobi theory. Physical Review A 97 (5), 053417 (2018).

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Zeitschriftenartikel

Schaub, T.A., J.T. Margraf, L. Zakharov, K. Reuter und R. Jasti: Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie International Edition 57 (50), 16348–16353 (2018).

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