Publications

Zeitschriftenartikel

Scheffler, M. und C. Draxl: Ein FAIRes Datenkonzept der von Big Data gesteuerten Materialwissenschaften. Jahrbuch / Max-Planck-Gesellschaft 12090594 (2018).

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Zeitschriftenartikel

Schittkowski, J., H. Ruland, D. Laudenschleger, K. Girod, K. Kähler, S. Kaluza, M. Muhler und R. Schlögl: Methanol Synthesis from Steel Mill Exhaust Gases: Challenges for the Industrial Cu/ZnO/Al₂O₃ Catalyst. Chemie-Ingenieur-Technik 90 (10), 1419–1429 (2018).

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Zeitschriftenartikel

Schmidt, T., H. Marchetto, U. Groh, R.H. Fink, H.-J. Freund und E. Umbach: Influence of Substrate Bonding and Surface Morphology on Dynamic Organic Layer Growth: Perylenetetracarboxylic Dianhydride on Au(111). Langmuir 34 (19), 5444–5453 (2018).

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Zeitschriftenartikel

Schmies, H., A. Bergmann, J. Drnec, G. Wang, D. Teschner, S. Kühl, D.J.S. Sandbeck, S. Cherevko, M. Gocyla, M. Shviro, M. Heggen, V. Ramani, R.E. Dunin-Borkowski, K.J.J. Mayrhofer und P. Strasser: Unravelling Degradation Pathways of Oxide-Supported Pt Fuel Cell Nanocatalysts under In Situ Operating Conditions. Advanced Energy Materials 8 (4), 1701663 (2018).

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supplementary-material

Zeitschriftenartikel

Schneider, W.-D., M. Heyde und H.-J. Freund: Charge Control in Model Catalysis: The Decisive Role of the Oxide–Nanoparticle Interface. Chemistry – A European Journal 24 (10), 2317–2327 (2018).

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Zeitschriftenartikel

Schreiber, M.W., C.P. Plaisance, M. Baumgärtl, K. Reuter, A. Jentys, R. Bermejo-Deval und J.A. Lercher: Lewis–Brønsted Acid Pairs in Ga/H-ZSM-5 To Catalyze Dehydrogenation of Light Alkanes. Journal of the American Chemical Society 140 (14), 4849–4859 (2018).

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Zeitschriftenartikel

Schröder, H.V., A. Mekic, H. Hupatz, S. Sobottka, F. Witte, L.H. Urner, M. Gaedke, K. Pagel, B. Sarkar, B. Paulus und C.A. Schalley: Switchable synchronisation of pirouetting motions in a redox-active [3]rotaxane. Nanoscale 10 (45), 21425–21433 (2018).

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Zeitschriftenartikel

Schütt, K.T., H.E. Sauceda, P.-J. Kindermans, A. Tkatchenko und K.-R. Müller: SchNet – A deep learning architecture for molecules and materials. The Journal of Chemical Physics 148 (24), 241722 (2018).

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Zeitschriftenartikel

Scutelnic, V., M.A.S. Perez, M. Marianski, S. Warnke, A. Gregor, U. Rothlisberger, M.T. Bowers, C. Baldauf, G.von Helden, T.R. Rizzo und J. Seo: The Structure of the Protonated Serine Octamer. Journal of the American Chemical Society 140 (24), 7554–7560 (2018).

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Zeitschriftenartikel

Seifert, T., S. Jaiswal, J. Barker, S.T. Weber, I. Razdolski, J. Cramer, O. Gückstock, S.F. Maehrlein, L. Nadvornik, S. Watanabe, C. Ciccarelli, A. Melnikov, G. Jakob, S.T.B. Goennenwein, G. Woltersdorf, B. Rethfeld, P.W. Brouwer, M. Wolf, M. Kläui und T. Kampfrath: Femtosecond formation dynamics of the spin Seebeck effect revealed by terahertz spectroscopy. Nature Communications 9, 2899 (2018).

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Zeitschriftenartikel

Seifert, T., N.M. Tran, O. Gückstock, S.M. Rouzegar, L. Nadvornik, S. Jaiswal, G. Jakob, V.V. Temnov, M. Münzenberg, M. Wolf, M. Kläui und T. Kampfrath: Terahertz spectroscopy for all-optical spintronic characterization of the spin-Hall-effect metals Pt, W and Cu₈₀Ir₂₀. Journal of Physics D 51 (36), 364003 (2018).

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Zeitschriftenartikel

Seo, J., W. Hoffmann, S. Malerz, S. Warnke, M.T. Bowers, K. Pagel und G.von Helden: Side-chain effects on the structures of protonated amino acid dimers: A gas-phase infrared spectroscopy study. International Journal of Mass Spectrometry 429, 115–120 (2018).

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Zeitschriftenartikel

Shaikhutdinov, S.K.: Strong Metal–Support Interaction and Reactivity of Ultrathin Oxide Films. Catalysis Letters 148 (9), 2627–2635 (2018).

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Zeitschriftenartikel

Shang, H., N. Raimbault, P. Rinke, M. Scheffler, M. Rossi und C. Carbogno: All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT. New Journal of Physics 20 (7), 073040 (2018).

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Zeitschriftenartikel

Shimizu, T.K., S. Maier, A. Verdaguer, J. Velasco Vélez und M. Salmeron: Water at surfaces and interfaces: From molecules to ice and bulk liquid. Progress in Surface Science 93 (4), 87–107 (2018).

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Zeitschriftenartikel

Silva, W.S., C. Stiehler, E.A. Soares, E.M. Bittar, J.C. Cezar, H. Kuhlenbeck, H.-J. Freund, E. Cisternas und F. Stavale: Hydrogen-induced metallization on the ZnO(0001) surface. Physical Review B 98 (15), 155416 (2018).

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Zeitschriftenartikel

Slenczka, A. und B. Friedrich: Solvation and cluster formation in helium nanodroplets. SciTech Europa Quarterly (29), 120–121 (2018).

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Zeitschriftenartikel

Song, X., H. Kuhlenbeck und H.-J. Freund: Surface Reactivity of Titania–Vanadia Mixed Oxides Under Oxidizing Conditions. Topics in Catalysis 61 (9-11), 792–799 (2018).

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Zeitschriftenartikel

Specht, J.F., E. Verdenhalven, B. Bieniek, P. Rinke, A. Knorr und M. Richter: Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers. Physical Review Applied 9 (4), 044025 (2018).

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Zeitschriftenartikel

Sprung, C., G.S. Yablonsky, R. Schlögl und A. Trunschke: Constructing A Rational Kinetic Model of the Selective Propane Oxidation Over A Mixed Metal Oxide Catalyst. Catalysts 8 (8), 330 (2018).

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Zeitschriftenartikel

Stanev, V., C. Oses, A.G. Kusne, E. Rodriguez, J. Paglione, S. Curtarolo und I. Takeuchi: Machine learning modeling of superconducting critical temperature. npj Computational Materials 4, 29 (2018).

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Zeitschriftenartikel

Straten, J.W., P. Schleker, M. Krasowska, E. Veroutis, J. Granwehr, A.A. Auer, W. Hetaba, S. Becker, R. Schlögl und S. Heumann: Nitrogen‐Functionalized Hydrothermal Carbon Materials by Using Urotropine as the Nitrogen Precursor. Chemistry – A European Journal 24 (47), 12298–12317 (2018).

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Zeitschriftenartikel

Streibel, V., M. Hävecker, Y. Yi, J. Velasco Vélez, K. Skorupska, E. Stotz, A. Knop-Gericke, R. Schlögl und R. Arrigo: In Situ Electrochemical Cells to Study the Oxygen Evolution Reaction by Near Ambient Pressure X-ray Photoelectron Spectroscopy. Topics in Catalysis 61 (20), 2064–2084 (2018).

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Zeitschriftenartikel

Sun, Y., I. Sinev, W. Ju, A. Bergmann, S. Dresp, S. Kühl, C. Spöri, H. Schmies, H. Wang, D. Bernsmeier, B. Paul, R. Schmack, R. Kraehnert, B. Roldan Cuenya und P. Strasser: Efficient Electrochemical Hydrogen Peroxide Production from Molecular Oxygen on Nitrogen-Doped Mesoporous Carbon Catalysts. ACS Catalysis 8 (4), 2844–2856 (2018).

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Zeitschriftenartikel

Svirskiy, G.I., A.V. Generalov, A. Klyushin, K.A. Simonov, S.A. Krasnikov, N.A. Vinogradov, A.L. Trigub, Y.V. Zubavichus, A.B. Preobrazhenski und A.S. Vinogradov: Comparative X-Ray Absorption Analysis of the Spectrum of Vacant Electronic States in Cobalt and Nickel Tetraphenylporphyrin Complexes. Physics of the Solid State 60 (3), 581–591 (2018).

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Zeitschriftenartikel

Thämer, M., R.K. Campen und M. Wolf: Detecting weak signals from interfaces by high accuracy phase-resolved SFG spectroscopy. Physical Chemistry Chemical Physics 20 (40), 25875–25882 (2018).

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Zeitschriftenartikel

Thomas, D., M. Marianski, E. Mucha, G. Meijer, M.A. Johnson und G.von Helden: Ground‐State Structure of the Proton‐Bound Formate Dimer by Cold‐Ion Infrared Action Spectroscopy. Angewandte Chemie International Edition 57 (33), 10615–10619 (2018).

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Zeitschriftenartikel

Thomas, D., M. Marianski, E. Mucha, G. Meijer, M.A. Johnson und G.von Helden: Ground‐State Structure of the Proton‐Bound Formate Dimer by Cold‐Ion Infrared Action Spectroscopy. Angewandte Chemie 130 (33), 10775–10779 (2018).

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supplementary-material

Zeitschriftenartikel

Thomas, D., E. Mucha, S. Gewinner, W. Schöllkopf, G. Meijer und G.von Helden: Vibrational Spectroscopy of Fluoroformate, FCO₂^-, Trapped in Helium Nanodroplets. The Journal of Physical Chemistry Letters 9 (9), 2305–2310 (2018).

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supplementary-material

Zeitschriftenartikel

Tissot, H., X. Weng, P. Schlexer, G. Pacchioni, S.K. Shaikhutdinov und H.-J. Freund: Ultrathin silica films on Pd(111): Structure and adsorption properties. Surface Science 678, 118–123 (2018).

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Zeitschriftenartikel

Tong, Y., I.Y. Zhang und R.K. Campen: Experimentally quantifying anion polarizability at the air/water interface. Nature Communications 9, 1313 (2018).

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Zeitschriftenartikel

Tran, N.-M., I.-A. Chioar, A. Stein, A. Alekhin, V. Juvé, G. Vaudel, I. Razdolski, V. Kapaklis und V. Temnov: Observation of the nonlinear Wood's anomaly on periodic arrays of nickel nanodimers. Physical Review B 98 (24), 245425 (2018).

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Zeitschriftenartikel

Ulrich, V., C. Froese, B. Moroz, P. Pyrjaev, E. Gerasimov, I. Sinev, B. Roldan Cuenya, M. Muhler, V. Bukhtiyarov und W. Grünert: Three-way catalysis with supported gold catalysts: Poisoning effects of hydrocarbons. Applied Catalysis B 237, 1021–1032 (2018).

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Zeitschriftenartikel

Ulrichs, H. und I. Razdolski: Micromagnetic view on ultrafast magnon generation by femtosecond spin current pulses. Physical Review B 98 (5), 054429 (2018).

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Zeitschriftenartikel

Uphoff, M., G.S. Michelitsch, R. Hellwig, K. Reuter, H. Brune, F. Klappenberger und J.V. Barth: Assembly of Robust Holmium-Directed 2D Metal–Organic Coordination Complexes and Networks on the Ag(100) Surface. ACS Nano 12 (11), 11552–11560 (2018).

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Zeitschriftenartikel

Usanmaz, D., P. Nath, C. Toher, J.J. Plata, R. Friedrich, M. Fornari, M.B. Nardelli und S. Curtarolo: Spinodal Superlattices of Topological Insulators. Chemistry of Materials 30 (7), 2331–2340 (2018).

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Zeitschriftenartikel

Vanbuel, J., M.-ye Jia, P. Ferrari, S. Gewinner, W. Schöllkopf, M.T. Nguyen, A. Fielicke und E. Janssens: Competitive Molecular and Dissociative Hydrogen Chemisorption on Size Selected Doubly Rhodium Doped Aluminum Clusters. Topics in Catalysis 61 (1), 62–70 (2018).

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Zeitschriftenartikel

Vasileiadis, T., L. Waldecker, D. Foster, A. Da Silva, D. Zahn, R. Bertoni, R.E. Palmer und R. Ernstorfer: Ultrafast Heat Flow in Heterostructures of Au Nanoclusters on Thin Films: Atomic Disorder Induced by Hot Electrons. ACS Nano 12 (8), 7710–7720 (2018).

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Zeitschriftenartikel

Velasco Vélez, J., K. Skorupska, E. Frei, Y.-C. Huang, C.-L. Dong, B.-J. Su, C.- J. Hsu, H.-Y. Chou, J.-M. Chen, P. Strasser, R. Schlögl, A. Knop-Gericke und C.-H. Chuang: The Electro-Deposition/Dissolution of CuSO₄ Aqueous Electrolyte Investigated by In Situ Soft X-ray Absorption Spectroscopy. The Journal of Physical Chemistry B 122 (2), 780–787 (2018).

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Zeitschriftenartikel

Velasco Vélez, J., D. Teschner, F. Girgsdies, M. Hävecker, V. Streibel, M.G. Willinger, J. Cao, M. Lamoth, E. Frei, R. Wang, A. Centeno, A. Zurutuza, S. Hofmann, R. Schlögl und A. Knop-Gericke: The Role of Adsorbed and Subsurface Carbon Species for the Selective Alkyne Hydrogenation Over a Pd-Black Catalyst: An Operando Study of Bulk and Surface. Topics in Catalysis 61 (20), 2052–2061 (2018).

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Zeitschriftenartikel

Velasco Vélez, J., D. Teschner, F. Girgsdies, M. Hävecker, V. Streibel, M.G. Willinger, J. Cao, M. Lamoth, E. Frei, R. Wang, A. Centeno, A. Zurutuza, S. Hofmann, R. Schlögl und A. Knop-Gericke: Correction to: The Role of Adsorbed and Subsurface Carbon Species for the Selective Alkyne Hydrogenation Over a Pd-Black Catalyst: An Operando Study of Bulk and Surface. Topics in Catalysis 61 (20), 2062–2063 (2018).

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Zeitschriftenartikel

Volykhov, A.A., J. Sánchez-Barriga, M. Batuk, C. Callaert, J. Hadermann, A.P. Sirotina, V.S. Neudachina, A.I. Belova, N.V. Vladimirova, M.E. Tamm, N.O. Khmelevsky, C. Escudero, V. Pérez-Dieste, A. Knop-Gericke und L.V. Yashina: Can surface reactivity of mixed crystals be predicted from their counterparts? A case study of (Bi_1−xSb_x)₂Te₃ topological insulators. Journal of Materials Chemistry C 6 (33), 8941–8949 (2018).

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Zeitschriftenartikel

Wang, H.-F., C. Tang, B.-Q. Li und Q. Zhang: A review of anion regulated multi-anion transition metal compounds for oxygen evolution electrocatalysis. Inorganic Chemistry Frontiers 5 (3), 521–534 (2018).

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Zeitschriftenartikel

Wang, Z.-J., F. Ding, G. Eres, M. Antonietti, R. Schlögl und M.G. Willinger: Formation Mechanism, Growth Kinetics, and Stability Limits of Graphene Adlayers in Metal‐Catalyzed CVD Growth. Advanced Materials Interfaces 5 (14), 1800255 (2018).

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Zeitschriftenartikel

Wang, Z., S. Kovalev, N. Awari, M. Chen, S. Germanskiy, B. Green, J.-C. Deinert, T. Kampfrath, J. Milano und M. Gensch: Magnetic field dependence of antiferromagnetic resonance in NiO. Applied Physics Letters 112 (25), 252404 (2018).

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Zeitschriftenartikel

Warzok, U., M. Marianski, W. Hoffmann, L. Turunen, K. Rissanen, K. Pagel und C.A. Schalley: Surprising solvent-induced structural rearrangements in large [N...I⁺...N] halogen-bonded supramolecular capsules: an ion mobility-mass spectrometry study. Chemical Science 9, 8343–8351 (2018).

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Zeitschriftenartikel

Weichman, M.L., S. Debnath, J.T. Kelly, S. Gewinner, W. Schöllkopf, D.M. Neumark und K.R. Asmis: Dissociative Water Adsorption on Gas-Phase Titanium Dioxide Cluster Anions Probed with Infrared Photodissociation Spectroscopy. Topics in Catalysis 61 (1-2), 92–105 (2018).

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Zeitschriftenartikel

Wen, G., Q. Gu, Y. Liu, R. Schlögl, C. Wang, Z. Tian und D.S. Su: Graphen‐ähnlicher Kohlenstoff aus Biomasse: effiziente metallfreie Kohlenstoffkatalysatoren für Epoxidierungen. Angewandte Chemie 130 (51), 17141–17145 (2018).

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Zeitschriftenartikel

Wen, G., Q. Gu, Y. Liu, R. Schlögl, C. Wang, Z. Tian und D.S. Su: Biomass‐Derived Graphene‐like Carbon: Efficient Metal‐Free Carbocatalysts for Epoxidation. Angewandte Chemie International Edition 57 (51), 16898–16902 (2018).

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