Publications

Journal Article

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

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Journal Article

Schittkowski, J., H. Ruland, D. Laudenschleger, K. Girod, K. Kähler, S. Kaluza, M. Muhler and 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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Journal Article

Schmidt, T., H. Marchetto, U. Groh, R.H. Fink, H.-J. Freund and 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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Journal Article

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 and 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

Journal Article

Schneider, W.-D., M. Heyde and 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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Journal Article

Schreiber, M.W., C.P. Plaisance, M. Baumgärtl, K. Reuter, A. Jentys, R. Bermejo-Deval and 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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Journal Article

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

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Journal Article

Schütt, K.T., H.E. Sauceda, P.-J. Kindermans, A. Tkatchenko and 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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Journal Article

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 and J. Seo: The Structure of the Protonated Serine Octamer. Journal of the American Chemical Society 140 (24), 7554–7560 (2018).

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Journal Article

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 and T. Kampfrath: Femtosecond formation dynamics of the spin Seebeck effect revealed by terahertz spectroscopy. Nature Communications 9, 2899 (2018).

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Journal Article

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 and 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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Journal Article

Seo, J., W. Hoffmann, S. Malerz, S. Warnke, M.T. Bowers, K. Pagel and 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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Journal Article

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

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Journal Article

Shang, H., N. Raimbault, P. Rinke, M. Scheffler, M. Rossi and 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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Journal Article

Shimizu, T.K., S. Maier, A. Verdaguer, J. Velasco Vélez and 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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Journal Article

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

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Journal Article

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

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Journal Article

Song, X., H. Kuhlenbeck and 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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Journal Article

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

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Journal Article

Sprung, C., G.S. Yablonsky, R. Schlögl and 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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Journal Article

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

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Journal Article

Straten, J.W., P. Schleker, M. Krasowska, E. Veroutis, J. Granwehr, A.A. Auer, W. Hetaba, S. Becker, R. Schlögl and 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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Journal Article

Streibel, V., M. Hävecker, Y. Yi, J. Velasco Vélez, K. Skorupska, E. Stotz, A. Knop-Gericke, R. Schlögl and 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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Journal Article

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 and 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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Journal Article

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 and 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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Journal Article

Thämer, M., R.K. Campen and 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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Journal Article

Thomas, D., M. Marianski, E. Mucha, G. Meijer, M.A. Johnson and 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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Journal Article

Thomas, D., M. Marianski, E. Mucha, G. Meijer, M.A. Johnson and 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

Journal Article

Thomas, D., E. Mucha, S. Gewinner, W. Schöllkopf, G. Meijer and 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

Journal Article

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

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Journal Article

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

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Journal Article

Tran, N.-M., I.-A. Chioar, A. Stein, A. Alekhin, V. Juvé, G. Vaudel, I. Razdolski, V. Kapaklis and 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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Journal Article

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

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Journal Article

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

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Journal Article

Uphoff, M., G.S. Michelitsch, R. Hellwig, K. Reuter, H. Brune, F. Klappenberger and 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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Journal Article

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

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Journal Article

Vanbuel, J., M.-ye Jia, P. Ferrari, S. Gewinner, W. Schöllkopf, M.T. Nguyen, A. Fielicke and 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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Journal Article

Vasileiadis, T., L. Waldecker, D. Foster, A. Da Silva, D. Zahn, R. Bertoni, R.E. Palmer and 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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Journal Article

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 and 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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Journal Article

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 and 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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Journal Article

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 and 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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Journal Article

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 and 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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Journal Article

Wang, H.-F., C. Tang, B.-Q. Li and 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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Journal Article

Wang, Z.-J., F. Ding, G. Eres, M. Antonietti, R. Schlögl and 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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Journal Article

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

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Journal Article

Warzok, U., M. Marianski, W. Hoffmann, L. Turunen, K. Rissanen, K. Pagel and 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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Journal Article

Weichman, M.L., S. Debnath, J.T. Kelly, S. Gewinner, W. Schöllkopf, D.M. Neumark and 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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Journal Article

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

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Wen, G., Q. Gu, Y. Liu, R. Schlögl, C. Wang, Z. Tian and 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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