Publications

Journal Article

Friedrich, B.: Molecules dressed in electromagnetic fields. Chemicke Listy 112 (10), 636–639 (2018).

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Journal Article

Friedrich, B., D. Herschbach, S. Kais and B. Schmidt: Molecules enhanced by electromagnetic fields. SciTech Europa Quarterly (27), 48–49 (2018).

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Fuchs, S., J. Fischer, A. Slenczka, M. Karra and B. Friedrich: Microsolvation of phthalocyanine molecules in superfluid helium nanodroplets as revealed by the optical line shape at electronic origin. The Journal of Chemical Physics 148 (14), 144301 (2018).

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Journal Article

Gao, D., I.T. McCrum, S. Deo, Y.-W. Choi, F. Scholten, W. Wan, J.G. Chen, M.J. Janik and B. Roldan Cuenya: Activity and Selectivity Control in CO₂ Electroreduction to Multicarbon Products over CuO_x Catalysts via Electrolyte Design. ACS Catalysis 8 (11), 10012–10020 (2018).

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Journal Article

Goldsmith, B.R., J. Esterhuizen, J.X. Liu, C.J. Bartel and C.A. Sutton: Machine learning for heterogeneous catalyst design and discovery. AIChE-Journal 64 (7), 2311–2323 (2018).

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Journal Article

Gossett, E., C. Toher, C. Oses, O. Isayev, F. Legrain, F. Rose, E. Zurek, J. Carrete, N. Mingo, A. Tropsha and S. Curtarolo: AFLOW-ML: A RESTful API for machine-learning predictions of materials properties. Computational Materials Science 152, 134–145 (2018).

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Göth, M., F. Witte, M. Quennet, P. Jungk, G. Podolan, D. Lentz, W. Hoffmann, K. Pagel, H.U. Reissig, B. Paulus and C.A. Schalley: To Anion–π or not to Anion–π: The Case of Anion‐Binding to Divalent Fluorinated Pyridines in the Gas Phase. Chemistry – A European Journal 24 (49), 12879–12889 (2018).

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Journal Article

Green, A.E., J. Justen, W. Schöllkopf, A.S. Gentleman, A. Fielicke and S.R. Mackenzie: IR Signature of Size-Selective CO₂ Activation on Small Platinum Cluster Anions, Pt_n^- (n=4–7). Angewandte Chemie International Edition 57 (45), 14822–14826 (2018).

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Journal Article

Green, A.E., J. Justen, W. Schöllkopf, A.S. Gentleman, A. Fielicke and S.R. Mackenzie: IR Signature of Size-Selective CO₂ Activation on Small Platinum Cluster Anions, Pt_n^- (n=4–7). Angewandte Chemie 130 (45), 15038–15042 (2018).

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Journal Article

Greiner, M., J. Cao, T. Jones, S. Beeg, K. Skorupska, E. Carbonio, H. Sezen, M. Amati, L. Gregoratti, M.G. Willinger, A. Knop-Gericke and R. Schlögl: Phase Coexistence of Multiple Copper Oxides on AgCu Catalysts during Ethylene Epoxidation. ACS Catalysis 8 (3), 2286–2295 (2018).

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Journal Article

Greiner, M.T., T. Jones, S. Beeg, L. Zwiener, M. Scherzer, F. Girgsdies, S. Piccinin, M. Armbrüster, A. Knop-Gericke and R. Schlögl: Free-atom-like d states in single-atom alloy catalysts. Nature Chemistry 10 (10), 1008–1015 (2018).

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Journal Article

Grosse, P., D. Gao, F. Scholtenn, I. Sinev, H. Mistry and B. Roldan Cuenya: Dynamic Changes in the Structure, Chemical State and Catalytic Selectivity of Cu Nanocubes during CO₂ Electroreduction: Size and Support Effects. Angewandte Chemie 130 (21), 6300–6305 (2018).

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Journal Article

Grosse, P., D. Gao, F. Scholtenn, I. Sinev, H. Mistry and B. Roldan Cuenya: Dynamic Changes in the Structure, Chemical State and Catalytic Selectivity of Cu Nanocubes during CO₂ Electroreduction: Size and Support Effects. Angewandte Chemie International Edition 57 (21), 6192–6197 (2018).

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Han, Z.-K., Y.-Z. Yang, B. Zhu, M.V. Ganduglia-Pirovano and Y. Gao: Unraveling the oxygen vacancy structures at the reduced CeO₂(111) surface. Physical Review Materials 2 (3), 035802 (2018).

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Hartmann, C., G. Sadoughi, R. Félix, E. Handick, H. Klemm, G. Peschel, E. Madej, A. Fuhrich, X. Liao, S. Raoux, D. Abou-Ras, D. Wargulski, T. Schmidt, R.G. Wilks, H. Snaith and M. Bär: Spatially Resolved Insight into the Chemical and Electronic Structure of Solution-Processed Perovskites-Why to (Not) Worry about Pinholes. Advanced Materials Interfaces 5 (5), 1701420 (2018).

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Harvey, D.J., Y. Watanabe, J.D. Allen, P. Rudd, K. Pagel, M. Crispin and W.B. Struwe: Collision Cross Sections and Ion Mobility Separation of Fragment Ions from Complex N-Glycans. Journal of the American Society for Mass Spectrometry 29 (6), 1250–1261 (2018).

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Journal Article

Heenemann, M., C. Heine, M. Hävecker, A. Trunschke and R. Schlögl: Influence of Steam on a Vanadyl Pyrophosphate Catalyst During Propane Oxidation. The Journal of Physical Chemistry B 122 (2), 695–704 (2018).

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Journal Article

Heiden, S., J. Wirth, R.K. Campen and P. Saalfrank: Water Molecular Beam Scattering at α-Al₂O₃(0001): An Ab Initio Molecular Dynamics Study. The Journal of Physical Chemistry C 122 (27), 15494–15504 (2018).

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Heiden, S., Y. Yue, H. Kirsch, J. Wirth, P. Saalfrank and R.K. Campen: Water Dissociative Adsorption on α-Al₂O₃(112̅0) Is Controlled by Surface Site Undercoordination, Density, and Topology. The Journal of Physical Chemistry C 122 (12), 6573–6584 (2018).

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Helbig, C., A.M. Bradshaw, L. Wietschel, A. Thorenz and A. Tuma: Supply risks associated with lithium-ion battery materials. Journal of Cleaner Production 172, 274–286 (2018).

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Journal Article

Herapath, R.I., S.M. Hornett, T. Seifert, G. Jakob, M. Kläui, J. Bertolotti, T. Kampfrath and E. Hendry: Impact of pump wavelength on terahertz emission of a cavity-enhanced spintronic trilayer. Applied Physics Letters 114 (04), 041107 (2018).

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Journal Article

Hermann, J. and A. Tkatchenko: Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy Contributions. Journal of Chemical Theory and Computation 14 (3), 1361–1369 (2018).

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Hermann, K., F. Qi, R. Zhao, R.-Q. Zhang and M.A. Van Hove: Fragment Motion in Motor Molecules: Basic Concepts and Application to Intra-Molecular Rotations. Physical Chemistry Chemical Physics 20 (33), 21487–21497 (2018).

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Hever, A., C. Oses, S. Curtarolo, O. Levy and A. Natan: The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials. Inorganic Chemistry 57 (2), 653–667 (2018).

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Journal Article

Hicks, D., C. Oses, E. Gossett, G. Gomez, R.H. Taylor, C. Toher, M.J. Mehl, O. Levy and S. Curtarolo: AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals. Acta Crystallographica A 74 (3), 184–203 (2018).

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Journal Article

Hoffmann, W., K. Folmert, J. Moschner, X. Huang, H. von Berlepsch, B. Koksch, M.T. Bowers, G.von Helden and K. Pagel: NFGAIL Amyloid Oligomers: The Onset of Beta-Sheet Formation and the Mechanism for Fibril Formation. Journal of the American Chemical Society 140 (1), 244–249 (2018).

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Journal Article

Huang, B., Y. Liu, X. Huang and Z. Xie: Multiple heteroatom-doped few-layer carbons for the electrochemical oxygen reduction reaction. Journal of Materials Chemistry A 6 (44), 22277–22286 (2018).

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Journal Article

Huang, X., Z. Liu, M.-M. Millet, J. Dong, M. Plodinec, F. Ding, R. Schlögl and M.G. Willinger: In Situ Atomic-Scale Observation of Surface Tension Induced Structural Transformation of Ag-NiP_x Core-Shell Nanocrystals. ACS Nano 12 (7), 7197–7205 (2018).

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Journal Article

Ickert, S., J. Hofmann, J. Riedel, S. Beck, K. Pagel and M.W. Linscheid: Charge-induced geometrical reorganization of DNA oligonucleotides studied by tandem mass spectrometry and ion mobility. European Journal of Mass Spectrometry 24 (2), 225–230 (2018).

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Jenichen, B., M. Hanke, S. Gaucher, A. Trampert, J. Herfort, H. Kirmse, B. Haas, E. Willinger, X. Huang and S.C. Erwin: Ordered structure of FeGe₂ formed during solid-phase epitaxy. Physical Review Materials 2 (5), 051402(R) (2018).

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Journal Article

Jeon, H.S., S. Kunze, F. Scholten and B. Roldan Cuenya: Prism-Shaped Cu Nanocatalysts for Electrochemical CO₂ Reduction to Ethylene. ACS Catalysis 8 (1), 531–535 (2018).

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Journal Article

Jeon, H.S., I. Sinev, F. Scholten, N.J. Divins, I. Zegkinoglou, L. Pielsticker and B. Roldan Cuenya: Operando Evolution of the Structure and Oxidation State of Size-Controlled Zn Nanoparticles during CO₂ Electroreduction. Journal of the American Chemical Society 140 (30), 9383–9386 (2018).

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Journal Article

Jia, M., J. Vanbuel, P. Ferrari, E.M. Fernández, S. Gewinner, W. Schöllkopf, M.T. Nguyen, A. Fielicke and E. Janssens: Size Dependent H₂ Adsorption on Al_nRh⁺ (n = 1–12) Clusters. The Journal of Physical Chemistry C 122 (22), 18247–18255 (2018).

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Journal Article

Joachimi, W., M. Hemmleb, U. Grauel, Z.-J. Wang, M.G. Willinger and G. Moldovan: High-Temperature BSE and EBAC Electronics for ESEM. Microscopy and Microanalysis 24 (Suppl. 1), 694–695 (2018).

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Journal Article

Jones, T., R. Wyrwich, S. Böcklein, E. Carbonio, M. Greiner, A. Klyushin, W. Moritz, A. Locatelli, T.O. Menteş, M.A. Niño, A. Knop-Gericke, R. Schlögl, S. Günther, J. Wintterlin and S. Piccinin: The Selective Species in Ethylene Epoxidation on Silver. ACS Catalysis 8 (5), 3844–3852 (2018).

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Journal Article

Juraschek, D.M. and S.F. Maehrlein: Sum-frequency ionic Raman scattering. Physical Review B 97 (17), 174302 (2018).

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Journal Article

Kaichev, V.V., A.A. Saraev, A.V. Matveev, Y.V. Dubinin, A. Knop-Gericke and V.I. Bukhtiyarov: In Situ NAP-XPS and Mass Spectrometry Study of the Oxidation of Propylene over Palladium. The Journal of Physical Chemistry C 122 (8), 4315–4323 (2018).

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Journal Article

Kampfrath, T., R.K. Campen, M. Wolf and M. Sajadi: The Nature of the Dielectric Response of Methanol Revealed by the Terahertz Kerr Effect. The Journal of Physical Chemistry Letters 9 (6), 1279–1283 (2018).

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Journal Article

Kampfrath, T., M. Wolf and M. Sajadi: The sign of the polarizability anisotropy of polar molecules is obtained from the terahertz Kerr effect. Chemical Physics Letters 692, 319–323 (2018).

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Journal Article

Katsaounis, A., D. Teschner and S. Zafeiratos: The Effect of Polarization and Reaction Mixture on the Rh/YSZ Oxidation State During Ethylene Oxidation Studied by Near Ambient Pressure XPS. Topics in Catalysis 61 (20), 2142–2151 (2018).

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Kazandjian, S., J. Rist, M. Weller, F. Wiegandt, D. Aslitürk, S. Grundmann, M. Kircher, G. Nalin, D. Pitters, I.V. Pérez, M. Waitz, G. Schiwietz, B. Griffin, J.B. Williams, R. Dörner, M. Schöffler, T. Miteva, F. Trinter, T. Jahnke and N. Sisourat: Frustrated Coulomb explosion of small helium clusters. Physical Review A 98 (5), 050701(R) (2018).

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Journal Article

Keune, W., S. Hong, M.Y. Hu, J. Zhao, T.S. Toellner, E.E. Alp, W. Sturhahn, T.S. Rahman and B. Roldan Cuenya: Influence of interfaces on the phonon density of states of nanoscale metallic multilayers: Phonon confinement and localization. Physical Review B 98 (2), 024308 (2018).

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Journal Article

Kießling, R., W.B. Colson, S. Gewinner, W. Schöllkopf, M. Wolf and A. Paarmann: Femtosecond single-shot timing and direct observation of subpulse formation in an infrared free-electron laser. Physical Review Accelerators and Beams 21 (08), 080702 (2018).

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Kleshchonok, A. and A. Tkatchenko: Tailoring van der Waals dispersion interactions with external electric charges. Nature Communications 9, 3017 (2018).

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Klingan, K., T. Kottakkat, Z.P. Jovanov, S. Jiang, C. Pasquini, F. Scholten, P. Kubella, A. Bergmann, B. Roldan Cuenya, C. Rot and H. Dau: Reactivity Determinants in Electrodeposited Cu Foams for Electrochemical CO₂ Reduction. ChemSusChem 11 (19), 3449–3459 (2018).

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Journal Article

Klyne, J., A. Bouchet, S.-ichi Ishiuchi, M. Fujii, M. Schneider, C. Baldauf and O. Dopfer: Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulations. Physical Chemistry Chemical Physics 20 (45), 28452–28464 (2018).

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Journal Article

Klyushin, A., T. Jones, T. Lunkenbein, P. Kube, X. Li, M. Hävecker, A. Knop-Gericke and R. Schlögl: Strong Metal Support Interaction as a key factor of Au activation in CO oxidation. ChemCatChem 10 (18), 3985–3989 (2018).

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Journal Article

Knop-Gericke, A.: Preface to the Special Issue of Topics in Catalysis on Beyond Near Ambient Pressure X-Ray Photoelectron Spectroscopy. Topics in Catalysis 61 (20), 2043–2043 (2018).

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Journal Article

Koch, M., M. Gille, S. Hecht and L. Grill: Steering a cycloaddition reaction via the surface structure. Surface Science 678, 194–200 (2018).

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