Publikationen

Zeitschriftenartikel

Raimbault, N., A. Grisafi, M. Ceriotti und M. Rossi: Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals. New Journal of Physics 21 (10), 105001 (2019).

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Ratchford, D.C., C. Winta, I. Chatzakis, C.T. Ellis, N. Paßler, J. Winterstein, P. Dev, I. Razdolski, J.R. Matson, J.R. Nolen, J.G. Tischler, I. Vurgaftman, M.B. Katz, N. Nepal, M.T. Hardy, J.A. Hachtel, J.C. Idrobo, T.L. Reinecke, A.J. Giles, D.S. Katzer, N.D. Bassim, R.M. Stroud, M. Wolf, A. Paarmann und J.D. Caldwell: Controlling the Infrared Dielectric Function through Atomic-Scale Heterostructures. ACS Nano 13 (6), 6730–6741 (2019).

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Razdolski, I., A.L. Chekhov, A.I. Stognij und A. Stupakiewicz: Ultrafast transport and relaxation of hot plasmonic electrons in metal-dielectric heterostructures. Physical Review B 100 (4), 045412 (2019).

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Ren, T., Z. Han, P. Ying, X. Li, X. Li, X. Lin, D. Sarker und J. Cui: Manipulating Localized Vibrations of Interstitial Te for Ultra-High Thermoelectric Efficiency in p-Type Cu–In–Te Systems. ACS Applied Materials and Interfaces 11 (35), 32192–32199 (2019).

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Rettig, L., A. Caviezel, S.O. Mariager, G. Ingold, C. Dornes, S.-W. Huang, J.A. Johnson, M. Radovic, T. Huber, T. Kubacka, A. Ferrer, H.T. Lemke, M. Chollet, D. Zhu, J.M. Glownia, M. Sikorski, A. Robert, M. Nakamura, M. Kawasaki, Y. Tokura, S.L. Johnson, P. Beaud und U. Staub: Disentangling transient charge order from structural dynamics contributions during coherent atomic motion studied by ultrafast resonant x-ray diffraction. Physical Review B 99 (13), 134302 (2019).

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Zeitschriftenartikel

Richter, N.F., F.E. Feiten, J. Pal, A. Plucienik, E. Emmez, S.K. Shaikhutdinov, H. Kuhlenbeck, T. Risse, H.-J. Freund, I. Goikoetxea, R. Włodarczyk und J. Sauer: Characterization of Phonon Vibrations of Silica Bilayer Films. The Journal of Physical Chemistry C 123 (12), 7110–7117 (2019).

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Zeitschriftenartikel

Rizo Parraga, R. und B. Roldan Cuenya: Shape-Controlled Nanoparticles as Anodic Catalysts in Low Temperature Fuel Cells. ACS Energy Letters 4 (6), 1484–1495 (2019).

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Zeitschriftenartikel

Rohloff, M., S. Cosgun, C. Massué, T. Lunkenbein, A. Senyshyn, M. Lerch, A. Fischer und M. Behrens: The role of synthesis conditions for structural defects and lattice strain in β-TaON and their effect on photo- and photoelectrocatalysis. Zeitschrift für Naturforschung B 74 (1), 71–83 (2019).

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Zeitschriftenartikel

Ronneburg, H., M. Trapp, R. Cubitt, L. Silvi, S. Cap, M. Ballauff und S. Risse: Surface structure inhibited lithiation of crystalline silicon probed with operando neutron reflectivity. Energy Storage Materials 18, 182–189 (2019).

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Zeitschriftenartikel

Sauceda, H.E., S. Chmiela, I. Poltavsky, K.-R. Müller und A. Tkatchenko: Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces. The Journal of Chemical Physics 150 (11), 114102 (2019).

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Scherzer, M., F. Girgsdies, E. Stotz, M.G. Willinger, E. Frei, R. Schlögl, U. Pietsch und T. Lunkenbein: Electrochemical Surface Oxidation of Copper Studied by in Situ Grazing Incidence X-ray Diffraction. The Journal of Physical Chemistry C 123 (21), 13253–13262 (2019).

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Zeitschriftenartikel

Schewski, R., K. Lion, A. Fiedler, C. Wouters, A. Popp, S.V. Levchenko, T. Schulz, M. Schmidbauer, S. Bin Anooz, R. Grüneberg, Z. Galazka, G. Wagner, K. Irmscher, M. Scheffler, C. Draxl und M. Albrecht: Step-flow growth in homoepitaxy of β-Ga₂O₃ (100)-The influence of the miscut direction and faceting. APL Materials 7 (2), 022515 (2019).

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Zeitschriftenartikel

Schlögl, R.: Put the Sun in the Tank: Future Developments in Sustainable Energy Systems. Angewandte Chemie International Edition 58 (1), 343–348 (2019).

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Schlögl, R.: Pack die Sonne in den Tank: Zur Weiterentwicklung nachhaltiger Energiesysteme. Angewandte Chemie 131 (1), 349–354 (2019).

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Zeitschriftenartikel

Schmidt, T., H. Marchetto, U. Groh, R.H. Fink und E. Umbach: Complex Monolayer Growth Dynamics of a Highly Symmetric Molecule: NTCDA on Ag(111). The Journal of Physical Chemistry C 123 (13), 8244–8255 (2019).

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Zeitschriftenartikel

Scholten, F., I. Sinev, M. Bernal und B. Roldan Cuenya: Plasma-Modified Dendritic Cu Catalyst for CO₂ Electroreduction. ACS Catalysis 9 (6), 5496–5502 (2019).

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Zeitschriftenartikel

Seiler, H., S. Palato, C. Sonnichsen, H. Baker, E. Socie, D.P. Strandell und P. Kambhampati: Two-dimensional electronic spectroscopy reveals liquid-like lineshape dynamics in CsPbI₃ perovskite nanocrystals. Nature Communications 10, 4962 (2019).

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Zeitschriftenartikel

Shang, H., A. Argondizzo, S. Tan, J. Zhao, P. Rinke, C. Carbogno, M. Scheffler und H. Petek: Electron-phonon coupling in d-electron solids: A temperature-dependent study of rutile TiO₂ by first-principles theory and two-photon photoemission. Physical Review Research 1 (3), 033153 (2019).

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Zeitschriftenartikel

Shen, T., Z. Zhu, I.Y. Zhang und M. Scheffler: Massive-parallel Implementation of the Resolution-of-Identity Coupled-cluster Approaches in the Numeric Atom-centered Orbital Framework for Molecular Systems. Journal of Chemical Theory and Computation 15 (9), 4721–4734 (2019).

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Sirotina, A.P., C. Callaert, A.A. Volykhov, A.S. Frolov, J. Sánchez-Barriga, A. Knop-Gericke, J. Hadermann und L.V. Yashina: Mechanistic Studies of Gas Reactions with Multicomponent Solids: What Can We Learn By Combining NAP XPS and Atomic Resolution STEM/EDX? The Journal of Physical Chemistry C 123 (43), 26201–26210 (2019).

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Sorek, E., J. Ankri, G. Arbiv, R. Mol, I. Popov, H.-J. Freund, S.K. Shaikhutdinov und M. Asscher: Acetylene Reactivity on Pd-Cu Nanoparticles Supported on Thin Silica Films: The Role of the Underlying Substrate. The Journal of Physical Chemistry C 123 (28), 17425–17431 (2019).

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Zeitschriftenartikel

Spanos, I., M.F. Tesch, M. Yu, H. Tüysüz, J. Zhang, X. Feng, K. Muellen, R. Schlögl und A.K. Mechler: Facile Protocol for Alkaline Electrolyte Purification and Its Influence on a Ni–Co Oxide Catalyst for the Oxygen Evolution Reaction. ACS Catalysis 9, 8165–8170 (2019).

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Spöri, C., P. Briois, H.N. Nong, T. Reier, A. Billard, S. Kühl, D. Teschner und P. Strasser: Experimental Activity Descriptors for Iridium-Based Catalysts for the Electrochemical Oxygen Evolution Reaction (OER). ACS Catalysis 9, 6653–6663 (2019).

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Zeitschriftenartikel

Sterrer, M., N. Nilius, S.K. Shaikhutdinov, M. Heyde, T. Schmidt und H.-J. Freund: Interaction of water with oxide thin film model systems. Journal of Materials Research 34 (3), 360–378 (2019).

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Zeitschriftenartikel

Stimper, V., S. Bauer, R. Ernstorfer, B. Schölkopf und R.P. Xian: Multidimensional Contrast Limited Adaptive Histogram Equalization. IEEE Access 7, 165437–165447 (2019).

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Zeitschriftenartikel

Stuke, A., M. Todorović, M. Rupp, C. Kunkel und K. Ghosh: Chemical diversity in molecular orbital energy predictions with kernel ridge regression. The Journal of Chemical Physics 150 (20), 204121 (2019).

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Sutton, C.A., L.M. Ghiringhelli, T. Yamamoto, Y. Lysogorskiy, L. Blumenthal, T. Hammerschmidt, J.R. Golebiowski, X. Liu, A. Ziletti und M. Scheffler: Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition. npj Computational Materials 5, 111 (2019).

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Zeitschriftenartikel

Tarasov, A., F. Seitz, R. Schlögl und E. Frei: In Situ Quantification of Reaction Adsorbates in Low-Temperature Methanol Synthesis on a High-Performance Cu/ZnO:Al Catalyst. ACS Catalysis 9 (6), 5537–5544 (2019).

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Zeitschriftenartikel

Tesch, M., S. Bonke, T. Jones, M. Shaker, J. Xiao, K. Skorupska, R. Mom, J. Melder, P. Kurz, A. Knop-Gericke, R. Schlögl, R. Hocking und A.N. Simonov: Evolution of Oxygen–Metal Electron Transfer and Metal Electronic States During Manganese Oxide Catalyzed Water Oxidation Revealed with In Situ Soft X‐Ray Spectroscopy. Angewandte Chemie International Edition 58 (11), 3426–3432 (2019).

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Zeitschriftenartikel

Tesch, M., S. Bonke, T. Jones, M. Shaker, J. Xiao, K. Skorupska, R. Mom, J. Melder, P. Kurz, A. Knop-Gericke, R. Schlögl, R. Hocking und A.N. Simonov: Evolution of Oxygen–Metal Electron Transfer and Metal Electronic States During Manganese Oxide Catalyzed Water Oxidation Revealed with In Situ Soft X-Ray Spectroscopy. Angewandte Chemie 131 (11), 3464–3470 (2019).

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Zeitschriftenartikel

Thämer, M., T. Garling, R.K. Campen und M. Wolf: Quantitative determination of the nonlinear bulk and surface response from alpha-quartz using phase sensitive SFG spectroscopy. The Journal of Chemical Physics 151 (6), 064707 (2019).

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Zeitschriftenartikel

Thomas, D., E. Mucha, M. Lettow, G. Meijer, M. Rossi und G.von Helden: Characterization of a trans-trans Carbonic Acid-Fluoride Complex by Infrared Action Spectroscopy in Helium Nanodroplets. Journal of the American Chemical Society 141 (14), 5815–5823 (2019).

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Thum, L., M. Rudolph, R. Schomäcker, Y. Wang, A. Tarasov, A. Trunschke und R. Schlögl: Oxygen Activation in Oxidative Coupling of Methane on Calcium Oxide. The Journal of Physical Chemistry C 123 (13), 8018–8026 (2019).

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Timoshenko, J., M. Ahmadi und B. Roldan Cuenya: Is There a Negative Thermal Expansion in Supported Metal Nanoparticles? An in Situ X-ray Absorption Study Coupled with Neural Network Analysis. The Journal of Physical Chemistry C 123 (33), 20594–20604 (2019).

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Timoshenko, J. und A.I. Frenkel: “Inverting” X-ray Absorption Spectra of Catalysts by Machine Learning in Search for Activity Descriptors. ACS Catalysis 9 (11), 10192–10211 (2019).

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Truppe, S., S. Marx, S. Kray, M. Doppelbauer, S. Hofsäss, H.C. Schewe, N. Walter, J. Pérez-Ríos, B.G. Sartakov und G. Meijer: Spectroscopic characterization of aluminum monofluoride with relevance to laser cooling and trapping. Physical Review A 100 (5), 052513 (2019).

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Urner, L.H., Y.B. Maier, R. Haag und K. Pagel: Exploring the Potential of Dendritic Oligoglycerol Detergents for Protein Mass Spectrometry. Journal of the American Society for Mass Spectrometry 30 (1), 174–180 (2019).

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Urner, L.H., B. Schade, M. Schulze, K. Folmert, R. Haag und K. Pagel: Switchable Solubility of Azobenzene-Based Bolaamphiphiles. ChemPhysChem 20 (13), 1690–1697 (2019).

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Vanbuel, J., E.M. Fernández, M.-ye Jia, P. Ferrari, W. Schöllkopf, L.C. Balbás, M.T. Nguyen, A. Fielicke und E. Janssens: Hydrogen Chemisorption on Doubly Vanadium Doped Aluminum Clusters. Zeitschrift für Physikalische Chemie 233 (6), 799–812 (2019).

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Vasileiadis, T., E.N. Skountzos, D. Foster, S.P. Coleman, D. Zahn, F. Krecinic, V.G. Mavrantzas, R.E. Palmer und R. Ernstorfer: Ultrafast rotational motions of supported nanoclusters probed by electron diffraction. Nanoscale Horizons 4 (5), 1164–1173 (2019).

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Velasco Vélez, J., T. Jones, D. Gao, E. Carbonio, R. Arrigo, C.-J. Hsu, Y.-C. Huang, C.L. Dong, J.-M. Chen, J.-F. Lee, P. Strasser, B. Roldan Cuenya, R. Schlögl, A. Knop-Gericke und C.-H. Chuang: The Role of the Copper Oxidation State in the Electrocatalytic Reduction of CO₂ into Valuable Hydrocarbons. ACS Sustainable Chemistry & Engineering 7 (1), 1485–1492 (2019).

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Velasco Vélez, J., T. Jones, V. Streibel, M. Hävecker, C.-H. Chuang, L. Frevel, M. Plodinec, A. Centeno, A. Zurutuza, R. Wang, R. Arrigo, R. Mom, S. Hofmannf, R. Schlögl und A. Knop-Gericke: Electrochemically active Ir NPs on graphene for OER in acidic aqueous electrolyte investigated by in situ and ex situ spectroscopies. Surface Science 681, 1–8 (2019).

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Vempati, S.P.K., J.-C. Deinert, L. Gierster, L. Bogner, C. Richter, N. Mutz, S. Blumstengel, A. Zykov, S. Kowarik, Y. Garmshausen, J. Hildebrandt, S. Hecht und J. Stähler: Uncovering the (un-)occupied electronic structure of a buried hybrid interface. Journal of Physics: Condensed Matter 31 (9), 094001 (2019).

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Vieten, J., B. Bulfin, D.E. Starr, A. Hariki, F.M.F. de Groot, A. Azarpira, C. Zachäus, M. Hävecker, K. Skorupska, N. Knoblauch, M. Schmücker, M. Roeb und C. Sattler: Redox Behavior of Solid Solutions in the SrFe^1‐xCu^xO^3‐δ System for Application in Thermochemical Oxygen Storage and Air Separation. Energy Technology 7 (1), 131–139 (2019).

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Voloshina, E., Q. Guo, B. Paulus, S. Böttcher, H. Vita, K. Horn, C. Zhao, Y. Cui und Y. Dedkov: Electronic Structure and Magnetic Properties of Graphene/Ni₃Mn/Ni(111) Trilayer. The Journal of Physical Chemistry C 123 (8), 4994–5002 (2019).

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Wagner, C., M.F.B. Green, M. Maiworm, P. Leinen, T. Esat, N. Ferri, N. Friedrich, R. Findeisen, A. Tkatchenko, R. Temirov und F.S. Tautz: Quantitative imaging of electric surface potentials with single-atom sensitivity. Nature Materials 18 (8), 853–859 (2019).

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Wang, H., S.V. Levchenko, T. Schultz, N. Koch, M. Scheffler und M. Rossi: Modulation of the Work Function by the Atomic Structure of Strong Organic Electron Acceptors on H‐Si(111). Advanced Electronic Materials 5 (5), 1800891 (2019).

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Wang, L., X. Xu, L. Zhang, R. Qiao, M. Wu, Z. Wang, S. Zhang, J. Liang, Z. Zhang, Z. Zhang, W. Chen, X. Xie, J. Zong, Y. Shan, Y. Guo, M.G. Willinger, H. Wu, Q. Li, W. Wang, P. Gao, S. Wu, Y. Zhang, Y. Jiang, D. Yu, E. Wang, X. Bai, Z.-J. Wang, F. Ding und K. Liu: Epitaxial growth of a 100-square-centimetre single-crystal hexagonal boron nitride monolayer on copper. Nature 570 (7759), 91–95 (2019).

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Wang, R., D.G. Purdie, Y. Fan, F.C.-P. Massabuau, P. Braeuninger-Weimer, O.J. Burton, R. Blume, R. Schlögl, A. Lombardo, R.S. Weatherup und S. Hofmann: A Peeling Approach for Integrated Manufacturing of Large Monolayer h-BN Crystals. ACS Nano 13 (2), 2114–2126 (2019).

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