Publications

Journal Article

Mucha, E., A.I. Gonzalez Florez, M. Marianski, D. Thomas, W. Hoffmann, W.B. Struwe, H.S. Hahm, S. Gewinner, W. Schöllkopf, P.H. Seeberger, G.von Helden and K. Pagel: Glycan Fingerprinting via Cold-Ion Infrared Spectroscopy. Angewandte Chemie International Edition 56 (37), 11248–11251 (2017).

MPG.PuRe

Journal Article

Mucha, E., A.I. Gonzalez Florez, M. Marianski, D. Thomas, W. Hoffmann, W.B. Struwe, H.S. Hahm, S. Gewinner, W. Schöllkopf, P.H. Seeberger, G.von Helden and K. Pagel: Fingerabdrücke für Glykane durch Spektroskopie kalter Ionen. Angewandte Chemie 129 (37), 11400–11404 (2017).

MPG.PuRe

Journal Article

Munkerup, K., D. Romanov, T. Bohinski, A.B. Stephansen, R.J. Levis and T.I. Sølling: Conserving Coherence and Storing Energy during Internal Conversion: Photoinduced Dynamics of cis- and trans-Azobenzene Radical Cations. The Journal of Physical Chemistry A 121 (45), 8642–8651 (2017).

MPG.PuRe

supplementary-material

Journal Article

Nadvornik, L., M. Surýnek, K. Olejník, V. Novák, J. Wunderlich, F. Trojánek, T. Jungwirth and P. Nemec: Fast Optical Control of Spin in Semiconductor Interfacial Structures. Physical Review Applied 8 (03), 034022 (2017).

MPG.PuRe

Journal Article

Nicholson, C., C. Berthod, M. Puppin, H. Berger, M. Wolf, M. Hoesch and M. Monney: Dimensional Crossover in a Charge Density Wave Material Probed by Angle-Resolved Photoemission Spectroscopy. Physical Review Letters 118 (20), 206401 (2017).

MPG.PuRe

Journal Article

Oberhofer, H., K. Reuter and J. Blumberger: Charge Transport in Molecular Materials: An Assessment of Computational Methods. Chemical Reviews 117 (15), 10319–10357 (2017).

MPG.PuRe

Journal Article

Opitz, A.K., A. Nenning, C. Rameshan, M. Kubicek, T. Götsch, R. Blume, M. Hävecker, A. Knop-Gericke, G. Rupprechter, B. Klötzer and J. Fleig: Surface Chemistry of Perovskite-Type Electrodes during High Temperature CO₂ Electrolysis Investigated by Operando Photoelectron Spectroscopy. ACS Applied Materials and Interfaces 9 (41), 35847–35860 (2017).

MPG.PuRe

Journal Article

Papaefthimiou, V., D.K. Niakolas, F. Paloukis, D. Teschner, A. Knop-Gericke, M. Hävecker and S. Zafeiratos: Operando observation of nickel/ceria electrode surfaces during intermediate temperature steam electrolysis. Journal of Catalysis 352, 305–313 (2017).

MPG.PuRe

Journal Article

Park, C., V. Atalla, S. Smith and M. Moon: Understanding the Charge Transfer at the Interface of Electron Donors and Acceptors: TTF−TCNQ as an Example. ACS Applied Materials and Interfaces 9 (32), 27266–27272 (2017).

MPG.PuRe

Journal Article

Paßler, N. and A. Paarmann: Generalized 4 × 4 matrix formalism for light propagation in anisotropic stratified media: study of surface phonon polaritons in polar dielectric heterostructures. Journal of the Optical Society of America B 34 (10), 102128–102139 (2017).

MPG.PuRe

Journal Article

Passler, N., I. Razdolski, S. Gewinner, W. Schöllkopf, M. Wolf and A. Paarmann: Second-Harmonic Generation from Critically Coupled Surface Phonon Polaritons. ACS Photonics 4 (5), 1048–1053 (2017).

MPG.PuRe

Journal Article

Pavlopoulos, N.G., J.T. Dubose, Y. Liu, X. Huang, N. Pinna, M.G. Willinger, T. Lian, K. Char and J. Yun: Type I vs. quasi-type II modulation in CdSe@CdS tetrapods: ramifications for noble metal tipping. CrystEngComm 19 (43), 6443–6453 (2017).

MPG.PuRe

Journal Article

Perdew, J.P., W. Yang, K. Burke, Z. Yang, E.K.U. Gross, M. Scheffler, G.E. Scuseria, T.M. Henderson, I.Y. Zhang, A. Ruzsinszky, H. Peng, J. Sun, E. Trushin and A. Görling: Understanding band gaps of solids in generalized Kohn-Sham theory. Proceedings of the National Academy of Sciences of the USA 114 (11), 2801–2806 (2017).

MPG.PuRe

Journal Article

Perrine, K.A., K.M. Parry, A.C. Stern, M.H.C.V. Spyk, M.J. Makowski, J.A. Freites, B. Winter, D.J. Tobias and J.C. Hemminger: Specific cation effects at aqueous solution-vapor interfaces: Surfactant-like behavior of Li⁺ revealed by experiments and simulations. Proceedings of the National Academy of Sciences of the USA 114 (51), 13363–13368 (2017).

MPG.PuRe

Journal Article

Pfeifer, V., T. Jones, J. Velasco Vélez, R. Arrigo, S. Piccinin, M. Hävecker, A. Knop-Gericke and R. Schlögl: In situ observation of reactive oxygen species forming on oxygen-evolving iridium surfaces. Chemical Science 8 (3), 2143–2149 (2017).

MPG.PuRe

Journal Article

Plaisance, C.P., R.A. van Santen and K. Reuter: Constrained-Orbital Density Functional Theory. Computational Method and Applications to Surface Chemical Processes. Journal of Chemical Theory and Computation 13 (8), 3561–3574 (2017).

MPG.PuRe

Journal Article

Pohl, M.N., C. Richter, E. Lugovoy, R. Seidel, P. Slavíček, E.F. Aziz, B. Abel, B. Winter and U. Hergenhahn: Sensitivity of Electron Transfer Mediated Decay to Ion Pairing. The Journal of Physical Chemistry B 121 (32), 7709–7714 (2017).

MPG.PuRe

Journal Article

Poitel, S., Z.-J. Wang, M.G. Willinger, J. Van herle and C. Hébert: In-situ Observation of Co-Ce Coated Metallic Interconnect Oxidation Combined with High-Resolution Post Exposure Analysis. ECS Transactions 78 (1), 1615–1632 (2017).

MPG.PuRe

Journal Article

Pollinger, F., S. Schmitt, D. Sander, Z. Tian, J. Kirschner, P. Vrdoljak, C. Stadler, F. Maier, H. Marchetto, T. Schmidt, A. Schöll and E. Umbach: Nanoscale patterning, macroscopic reconstruction, and enhanced surface stress by organic adsorption on vicinal surfaces. New Journal of Physics 19 (1), 013019 (2017).

MPG.PuRe

Journal Article

Posch, S., C. Aponte-Santamaría, R. Schwarzl, A. Karner, M. Radtke, F. Gräter, T. Obser, G. König, M.A. Brehm, H.J. Gruber, R.R. Netz, C. Baldauf, R. Schneppenheim, R. Tampé and P. Hinterdorfer: Mutual A domain interactions in the force sensing protein von Willebrand factor. Journal of Structural Biology 197 (1), 57–64 (2017).

MPG.PuRe

Journal Article

Prieto, M. and T. Schmidt: LEEM and PEEM as Probing Tools to Address Questions in Catalysis. Catalysis Letters 147 (10), 2487–2497 (2017).

MPG.PuRe

Journal Article

Püttner, R., P.M. Schmidt-Weber, T. Kampen, C. Kolczewski, K. Hermann and K. Horn: Identification of isomers in the gas phase and as adsorbates by near-edge X-ray absorption fine structure spectroscopy: Cis- and trans-stilbene. Journal of Electron Spectroscopy and Related Phenomena 215, 16–21 (2017).

MPG.PuRe

Journal Article

Ramakrishnan, M., Y. Joly, Y.W. Windsor, L. Rettig, A. Alberca, E.M. Bothschafter, P. Lejay, R. Ballou, V. Simonet, V. Scagnoli and U. Staub: Crystal symmetry lowering in chiral multiferroic Ba₃TaFe₃Si₂O₁₄ observed by x-ray magnetic scattering. Physical Review B 95 (20), 205145 (2017).

MPG.PuRe

Journal Article

Ramprasad, R., R. Batra, G. Pilania, A. Mannodi-Kanakkithodi and C. Kim: Machine learning in materials informatics: recent applications and prospects. npj Computational Materials 3, 54 (2017).

MPG.PuRe

Journal Article

Rao, R.G., R. Blume, T.W. Hansen, E. Fuentes, K. Dreyer, S. Moldovan, O. Ersen, D.D. Hibbitts, Y.J. Chabal, R. Schlögl and J.-P. Tessonnier: Interfacial charge distributions in carbon-supported palladium catalysts. Nature Communications 8, 340 (2017).

MPG.PuRe

Journal Article

Razdolski, I., A. Alekhin, N. Ilin, J.P. Meyburg, V. Roddatis, D. Diesing, U. Bovensiepen and A. Melnikov: Nanoscale interface confinement of ultrafast spin transfer torque driving non-uniform spin dynamics. Nature Communications 8, 15007 (2017).

MPG.PuRe

Journal Article

Razdolski, I., A. Alekhin, U. Martens, D. Bürstel, D. Diesing, M. Münzenberg, U. Bovensiepen and A. Melnikov: Analysis of the time-resolved magneto-optical Kerr effect for ultrafast magnetization dynamics in ferromagnetic thin films. Journal of Physics: Condensed Matter 29 (17), 174002 (2017).

MPG.PuRe

Journal Article

Reier, T., H.N. Nong, D. Teschner, R. Schlögl and P. Strasser: Electrocatalytic Oxygen Evolution Reaction in Acidic Environments – Reaction Mechanisms and Catalysts. Advanced Energy Materials 7 (1), 1601275 (2017).

MPG.PuRe

Journal Article

Reuter, K., C.P. Plaisance, H. Oberhofer and M. Andersen: Perspective: On the active site model in computational catalyst screening. The Journal of Chemical Physics 146 (4), 040901 (2017).

MPG.PuRe

Journal Article

Ringe, S., H. Oberhofer and K. Reuter: Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions. The Journal of Chemical Physics 146 (13), 134103 (2017).

MPG.PuRe

Journal Article

Rittmeyer, S.P., V.J. Bukas and K. Reuter: Energy dissipation at metal surfaces. Advances in Physics: X 3 (1), 1381574 (2017).

MPG.PuRe

Journal Article

Rittmeyer, S.P., J. Meyer and K. Reuter: Nonadiabatic Vibrational Damping of Molecular Adsorbates: Insights into Electronic Friction and the Role of Electronic Coherence. Physical Review Letters 119 (17), 176808 (2017).

MPG.PuRe

Journal Article

Rondelli, M., G. Zwaschka, M. Krause, M.D. Rötzer, M.N. Hedhili, M.P. Högerl, V. D'Elia, F.F. Schweinberger, J.-M. Basset and U. Heiz: Exploring the Potential of Different-Sized Supported Subnanometer Pt Clusters as Catalysts for Wet Chemical Applications. ACS Catalysis 7 (6), 4152–4162 (2017).

MPG.PuRe

Journal Article

Rubio, A.: Pressure induced phase transition in correlated oxides and simple metals: Mott and charge-transfer insulators. Journal of Physics: Conference Series 950, 032003 (2017).

MPG.PuRe

Journal Article

Rudi, S., D. Teschner, V. Beermann, W. Hetaba, L. Gan, C. Cui, M. Gliech, R. Schlögl and P. Strasser: pH-Induced Versus Oxygen-Induced Surface Enrichment And Segregation Effects In Pt-Ni Alloy Nanoparticle Fuel Cell Catalysts. ACS Catalysis 7 (9), 6376–6384 (2017).

MPG.PuRe

supplementary-material

Journal Article

Rupflin, L.A., J. Mormul, M. Lejkowski, S. Titlbach, R. Papp, R. Gläser, M. Dimitrakopoulou, X. Huang, A. Trunschke, M.G. Willinger, R. Schlögl, F. Rosowski and S.A. Schunk: Platinum Group Metal Phosphides as Heterogeneous Catalysts for the Gas-Phase Hydroformylation of Small Olefins. ACS Catalysis 7 (5), 3584–3590 (2017).

MPG.PuRe

Journal Article

Sajadi, M., M. Wolf and T. Kampfrath: Transient birefringence of liquids induced by terahertz electric-field torque on permanent molecular dipoles. Nature Communications 8, 14963 (2017).

MPG.PuRe

Journal Article

Sajadi, M., M. Wolf and T. Kampfrath: Erratum: Transient birefringence of liquids induced by terahertz electric-field torque on permanent molecular dipoles. Nature Communications 8, 15796 (2017).

MPG.PuRe

Journal Article

Savateev, A., S. Pronkin, J.D. Epping, M.G. Willinger, M. Antonietti and D. Dontsova: Synthesis of electronically modified carbon nitride from a processable semiconductor, 3-aminotriazole-1,2,4 oligomer, via a topotactic-like phase transition. Journal of Materials Chemistry A 5 (18), 8394–8401 (2017).

MPG.PuRe

supplementary-material

Journal Article

Savateev, A., S. Pronkin, J.D. Epping, M.G. Willinger, C. Wolff, D. Neher, M. Antonietti and D. Dontsova: Potassium Poly(heptazine imides) from Aminotetrazoles: Shifting Band Gaps of Carbon Nitride-like Materials for More Efficient Solar Hydrogen and Oxygen Evolution. ChemCatChem 9 (1), 167–174 (2017).

MPG.PuRe

Journal Article

Savateev, A., S. Pronkin, M.G. Willinger, M. Antonietti and D. Dontsova: Towards Organic Zeolites and Inclusion Catalysts: Heptazine Imide Salts Can Exchange Metal Cations in the Solid State. Chemistry – An Asian Journal 12 (13), 1517–1522 (2017).

MPG.PuRe

Journal Article

Schieder, M., C. Bojer, J.vom Stein, S. Koch, T. Martin, H. Schmalz, J. Breu and T. Lunkenbein: Template Removal via Boudouard Equilibrium Allows for Synthesis of Mesostructured Molybdenum Compounds. Angewandte Chemie International Edition 56 (45), 13968–13972 (2017).

MPG.PuRe

Journal Article

Schieder, M., C. Bojer, J.vom Stein, S. Koch, T. Martin, H. Schmalz, J. Breu and T. Lunkenbein: Template Removal via Boudouard Equilibrium Allows for Synthesis of Mesostructured Molybdenum Compounds. Angewandte Chemie 129 (45), 14156–14160 (2017).

MPG.PuRe

Journal Article

Schlögl, R.: Catalysis 4.0. ChemCatChem 9 (4), 533–541 (2017).

MPG.PuRe

Journal Article

Schlögl, R.: Inside Back Cover: Catalysis 4.0. ChemCatChem 9 (4), 713–713 (2017).

MPG.PuRe

Journal Article

Schlögl, R.: Chemical energy storage: Part of a systemic solution. EPJ Web of Conferences 148, 00015 (2017).

MPG.PuRe

Journal Article

Schlögl, R.: Energiewende 2.0: Zur Rolle der chemischen Forschung. Jahrbuch / Max-Planck-Gesellschaft 11356432 (2017).

MPG.PuRe

Journal Article

Schneider, M., C. Masellis, T. Rizzo and C. Baldauf: Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase. The Journal of Physical Chemistry A 121 (36), 6838–6844 (2017).

MPG.PuRe

Journal Article

Schön, D., R. Golnak, M.F. Tesch, B. Winter, J. Velasco Vélez, E.F. Aziz and J. Xiao: Bulk-Sensitive Detection of the Total Ion Yield for X-ray Absorption Spectroscopy in Liquid Cells. The Journal of Physical Chemistry Letters 8 (20), 5136–5140 (2017).

MPG.PuRe