Journal Article (270)

2018
Journal Article
Mucha, E., M. Marianski, F.-F. Xu, D. Thomas, G. Meijer, G.von Helden, P.H. Seeberger and K. Pagel: Unravelling the structure of glycosyl cations via cold-ion infrared spectroscopy. Nature Communications 9, 4174 (2018).
Journal Article
Mucha, E., M. Marianski, F.-F. Xu, D. Thomas, G. Meijer, G.von Helden, P.H. Seeberger and K. Pagel: Publisher Correction: Unravelling the structure of glycosyl cations via cold-ion infrared spectroscopy. Nature Communications 9, 4767 (2018).
Journal Article
Murugappan, K., E.M. Anderson, D. Teschner, T. Jones, K. Skorupska and Y. Román-Leshkov: Operando NAP-XPS unveils differences in MoO3 and Mo2C during hydrodeoxygenation. Nature Catalysis 1 (12), 960–967 (2018).
Journal Article
Nardelli, M.B., F.T. Cerasoli, M. Costa, S. Curtarolo, R. De Gennaro, M. Fornari, L. Liyanage, A.R. Supka and H. Wang: PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials. Computational Materials Science 143, 462–472 (2018).
Journal Article
Němec, P., M. Fiebig, T. Kampfrath and A.V. Kimel: Antiferromagnetic opto-spintronics. Nature Physics 14 (3), 229–241 (2018).
Journal Article
Nicholson, C., A. Lücke, W.G. Schmidt, M. Puppin, L. Rettig, R. Ernstorfer and M. Wolf: Beyond the molecular movie: dynamics of bands and bonds during a photo-induced phase transition. Science 362 (6416), 821–825 (2018).
Journal Article
Niederhausen, J., Y. Zhang, F. Cheenicode Kabeer, Y. Garmshausen, B.M. Schmidt, Y. Li, K.-F. Braun, S. Hecht, A. Tkatchenko, N. Koch and S.-W. Hla: Subtle Fluorination of Conjugated Molecules Enables Stable Nanoscale Assemblies on Metal Surfaces. The Journal of Physical Chemistry C 122 (33), 18902–18911 (2018).
Journal Article
Nong, H.N., T. Reier, H.-S. Oh, M. Gliech, P. Paciok, T.H.T. Vu, D. Teschner, M. Heggen, V. Petkov, R. Schlögl, T. Jones and P. Strasser: A unique oxygen ligand environment facilitates water oxidation in hole-doped IrNiOx core–shell electrocatalysts. Nature Catalysis 1 (11), 841–851 (2018).
Journal Article
Olejník, K., T. Seifert, Z. Kašpar, V. Novák, P. Wadley, R.P. Campion, M. Baumgartner, P. Gambardella, P. Němec, J. Wunderlich, J. Sinova, P. Kužel, M. Müller, T. Kampfrath and T. Jungwirth: Terahertz electrical writing speed in an antiferromagnetic memory. Science Advances 4 (3), 3566 (2018).
Journal Article
Opitz, A.K., C. Rameshan, M. Kubicek, G.M. Rupp, A. Nenning, T. Götsch, R. Blume, M. Hävecker, A. Knop-Gericke, G. Rupprechter, B. Klötzer and J. Fleig: The Chemical Evolution of the La0.6Sr0.4CoO3−δ Surface Under SOFC Operating Conditions and Its Implications for Electrochemical Oxygen Exchange Activity. Topics in Catalysis 61 (20), 2129–2141 (2018).
Journal Article
Oses, C., E. Gossett, D. Hicks, F. Rose, M.J. Mehl, E. Perim, I. Takeuchi, S. Sanvito, M. Scheffler, Y. Lederer, O. Levy, C. Toher and S. Curtarolo: AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis. Journal of Chemical Information and Modeling 58 (12), 2477–2490 (2018).
Journal Article
Ouyang, R., S. Curtarolo, E. Ahmetcik, M. Scheffler and L.M. Ghiringhelli: SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates. Physical Review Materials 2 (08), 083802 (2018).
Journal Article
Özer, E., I. Sinev, A.M. Mingers, J. Araujo, T. Kropp, M. Mavrikakis, K.J.J. Mayrhofer, B. Roldan Cuenya and P. Strasser: Ir–Ni Bimetallic OER Catalysts Prepared by Controlled Ni Electrodeposition on Irpoly and Ir(111). Surfaces 1 (1), 165–186 (2018).
Journal Article
Pacchioni, G. and H.-J. Freund: Controlling the charge state of supported nanoparticles in catalysis: lessons from model systems. Chemical Society Reviews 47 (22), 8474–8502 (2018).
Journal Article
Pan, Q., L. Li, S.K. Shaikhutdinov and H.-J. Freund: Planar model system of the Phillips (Cr/SiO2) catalyst based on a well-defined thin silicate film. Journal of Catalysis 357, 12–19 (2018).
Journal Article
Pan, Q., L. Li, S.K. Shaikhutdinov, Y. Fujimori, M. Hollerer, M. Sterrer and H.-J. Freund: Model systems in heterogeneous catalysis: towards the design and understanding of structure and electronic properties. Faraday Discussions 208, 307–323 (2018).
Journal Article
Panhwar, G.M., R. Mysyk, T. Rojo, S.K. Shaikhutdinov and O. Bondarchuk: Electrowetting of Ionic Liquid on Graphite: Probing via in Situ Electrochemical X-ray Photoelectron Spectroscopy. Langmuir 34 (48), 14528–14536 (2018).
Journal Article
Park, D.S., G.J. Rees, H. Wang, D. Rata, A.J. Morris, I.V. Maznichenko, S. Ostanin, A. Bhatnagar, C.J. Choi, R.D.B. Jónsson, K. Kaufmann, R. Kashtiban, M. Walker, C.T. Chiang, E.B. Thorsteinsson, Z. Luo, I.S. Park, J.V. Hanna, I. Mertig, K. Dörr, H.P. Gíslason and C.F. McConville: Electromagnetic Functionalization of Wide‐Bandgap Dielectric Oxides by Boron Interstitial Doping. Advanced Materials 30 (39), 1802025 (2018).
Journal Article
Paßler, N., C.R. Gubbin, T.G. Folland, I. Razdolski, D.S. Katzer, D.F. Storm, M. Wolf, S.D. Liberato, J.D. Caldwell and A. Paarmann: Strong Coupling of Epsilon-Near-Zero Phonon Polaritons in Polar Dielectric Heterostructures. Nano Letters 18 (7), 4285–4292 (2018).
Journal Article
Pereira, M.M., E.S. Gomes, A.V. Silva, A.B. Pinar, M.G. Willinger, S. Shanmugam, C. Chizallet, G. Laugel, P. Losch and B. Louis: Biomass-mediated ZSM-5 zeolite synthesis: when self-assembly allows to cross the Si/Al lower limit. Chemical Science 9 (31), 6532–6539 (2018).
Journal Article
Pérez, L.C.P., N.R. Sahraie, J. Melke, P. Elsässer, D. Teschner, X. Huang, R. Kraehnert, R.J. White, S. Enthaler, P. Strasser and A. Fischer: Polyformamidine-Derived Non-Noble Metal Electrocatalysts for Efficient Oxygen Reduction Reaction. Advanced Functional Materials 28 (22), 1707551 (2018).
Journal Article
Pielsticker, L., I. Zegkinoglou, N.J. Divins, H. Mistry, Y.-T. Chen, A. Kostka, J.A. Boscoboinik and B. Roldan Cuenya: Segregation Phenomena in Size-Selected Bimetallic CuNi Nanoparticle Catalysts. The Journal of Physical Chemistry B 122 (2), 919–926 (2018).
Journal Article
Piontek, S., C. Andronescu, A. Zaichenko, B. Konkena, K. Junge Puring, B. Marler, H. Antoni, I. Sinev, M. Muhler, D. Mollenhauer, B. Roldan Cuenya, W. Schuhmann and U.-P. Apfel: Influence of the Fe:Ni Ratio and Reaction Temperature on the Efficiency of (FexNi1–x)9S8 Electrocatalysts Applied in the Hydrogen Evolution Reaction. ACS Catalysis 8 (2), 987–996 (2018).
Journal Article
Poel, A.P.P.van der, P.C. Zieger, S.Y.T. Meerakker, J. Loreau, A.van der Avoird and H.L. Bethlem: Cold Collisions in a Molecular Synchrotron. Physical Review Letters 120 (3), 033402 (2018).
Journal Article
Poltavsky, I., L. Zheng, M. Mortazavi and A. Tkatchenko: Quantum tunneling of thermal protons through pristine graphene. The Journal of Chemical Physics 148 (20), 204707 (2018).
Journal Article
Porer, M., M. Fechner, E.M. Bothschafter, L. Rettig, M. Savoini, V. Esposito, J. Rittmann, M. Kubli, M.J. Neugebauer, E. Abreu, T. Kubacka, T. Huber, G. Lantz, S. Parchenko, S. Grübel, A. Paarmann, J. Noack, P. Beaud, G. Ingold, U. Aschauer, S.L. Johnson and U. Staub: Ultrafast Relaxation Dynamics of the Antiferrodistortive Phase in Ca Doped SrTiO3. Physical Review Letters 121 (05), 055701 (2018).
Journal Article
Porterfield, J.P., S. Eibenberger, D. Patterson and M.C. McCarthy: The ozonolysis of isoprene in a cryogenic buffer gas cell by high resolution microwave spectroscopy. Physical Chemistry Chemical Physics 20 (28), 16828–16834 (2018).
Journal Article
Prieto, M., H. Klemm, F. Xiong, D.M. Gottlob, D. Menzel, T. Schmidt and H.-J. Freund: Water Formation under Silica Thin Films: Real‐Time Observation of a Chemical Reaction in a Physically Confined Space. Angewandte Chemie International Edition 57 (28), 8749–8753 (2018).
Journal Article
Prieto, M., H. Klemm, F. Xiong, D.M. Gottlob, D. Menzel, T. Schmidt and H.-J. Freund: Wasserbildung unter dünnen Silika-Filmen: Echtzeitbeobachtung einer chemischen Reaktion in einem physikalisch eingegrenzten Raum. Angewandte Chemie 130 (28), 8885–8889 (2018).
Journal Article
Pufahl, K., N. Paßler, N.B. Grosse, M. Wolf, U. Woggon and A. Paarmann: Controlling nanoscale air-gaps for critically coupled surface polaritons by means of non-invasive white-light interferometry. Applied Physics Letters 113 (16), 161103 (2018).
Journal Article
Rameshan, C., H. Li, K. Anic, M. Roiaz, V. Pramhaas, R. Rameshan, R. Blume, M. Hävecker, J. Knudsen, A. Knop-Gericke and G. Rupprechter: In situ NAP-XPS Spectroscopy during Methane Dry Reforming on ZrO2/Pt(111) Inverse Model Catalyst. Journal of Physics: Condensed Matter 30 (26), 264007 (2018).
Journal Article
Rameshan, C., H. Lorenz, M. Armbrüster, I. Kasatkin, B. Klötzer, T. Götsch, K. Ploner and S. Penner: Impregnated and Co-precipitated Pd–Ga2O3, Pd–In2O3 and Pd–Ga2O3–In2O3 Catalysts: Influence of the Microstructure on the CO2 Selectivity in Methanol Steam Reforming. Catalysis Letters 148 (10), 3062–3071 (2018).
Journal Article
Rameshan, R., V. Vonk, D. Frank, J. Drnec, S. Penner, A. Garhofer, F. Mittendorfer, A. Stierle and B. Klötzer: Role of Precursor Carbides for Graphene Growth on Ni(111). Scientific Reports 8, 2662 (2018).
Journal Article
Rasim, K., R. Ramlau, A. Leithe-Jasper, T. Mori, U. Burkhardt, H. Borrmann, W. Schnelle, C. Carbogno, M. Scheffler and Y. Grin: Local Atomic Arrangements and Band Structure of Boron Carbide. Angewandte Chemie International Edition 57 (21), 6130–6135 (2018).
Journal Article
Rasim, K., R. Ramlau, A. Leithe-Jasper, T. Mori, U. Burkhardt, H. Borrmann, W. Schnelle, C. Carbogno, M. Scheffler and Y. Grin: Local Atomic Arrangements and Band Structure of Boron Carbide. Angewandte Chemie 130 (21), 6238–6243 (2018).
Journal Article
Razdolski, I., N. Paßler, C.R. Gubbin, C. Winta, R. Cernansky, F. Martini, A. Politi, S.A. Maier, M. Wolf, A. Paarmann and S. De Liberato: Second harmonic generation from strongly coupled localized and propagating phonon-polariton modes. Physical Review B 98 (12), 125425 (2018).
Journal Article
Riggs, D.L., J. Hofmann, H.S. Hahm, P.H. Seeberger, K. Pagel and R.R. Julian: Glycan Isomer Identification Using Ultraviolet Photodissociation Initiated Radical Chemistry. Analytical Chemistry 90 (19), 11581–11588 (2018).
Journal Article
Rodenas, T., S. Beeg, I. Spanos, S. Neugebauer, F. Girgsdies, G. Algara-Siller, P.P.M. Schleker, P. Jakes, N. Pfänder, M.G. Willinger, M.T. Greiner, G. Prieto, R. Schlögl and S. Heumann: 2D Metal Organic Framework‐Graphitic Carbon Nanocomposites as Precursors for High‐Performance O2‐Evolution Electrocatalysts. Advanced Energy Materials 8 (35), 1802404 (2018).
Journal Article
Roemers‐van Beek, J.M., Z.-J. Wang, A. Rinaldi, M.G. Willinger and L. Lefferts: Initiation of Carbon Nanofiber Growth on Polycrystalline Nickel Foam under Low Ethylene Pressure. ChemCatChem 10 (14), 3107–3114 (2018).
Journal Article
Rossi, M., V. Kapil and M. Ceriotti: Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation. The Journal of Chemical Physics 148 (10), 102301 (2018).
Journal Article
Rötzer, M.D., M. Krause, A.S. Crampton, E. Mitterreiter, H.H. Heenen, F.F. Schweinberger, K. Reuter and U. Heiz: Surface chemistry of 1- and 3-Hexyne on Pt(111): desorption, decomposition and dehydrocyclization. The Journal of Physical Chemistry C 122 (8), 4428–4436 (2018).
Journal Article
Roy, P.K., M. Heyde and A. Heuer: Modelling the atomic arrangement of amorphous 2D silica: a network analysis. Physical Chemistry Chemical Physics 20 (21), 14725–14739 (2018).
Journal Article
Saini, S., D. Sarker, P. Basera, S.V. Levchenko, L.M. Ghiringhelli and S. Bhattacharya: Structure and Electronic Properties of Transition-Metal/Mg Bimetallic Clusters at Realistic Temperatures and Oxygen Partial Pressures. The Journal of Physical Chemistry C 122 (29), 16788–16794 (2018).
Journal Article
Sarker, P., T. Harrington, C. Toher, C. Oses, M. Samiee, J.-P. Maria, D.W. Brenner, K.S. Vecchio and S. Curtarolo: High-entropy high-hardness metal carbides discovered by entropy descriptors. Nature Communications 9 (1), 4980 (2018).
Journal Article
Saveleva, V.A., L. Wang, D. Teschner, T. Jones, A.S. Gago, K.A. Friedrich, S. Zafeiratos, R. Schlögl and E.R. Savinova: Operando Evidence for a Universal Oxygen Evolution Mechanism on Thermal and Electrochemical Iridium Oxides. The Journal of Physical Chemistry Letters 9 (11), 3154–3160 (2018).
Journal Article
Schatz, K., B. Friedrich, S. Becker and B. Schmidt: Symmetric tops in combined electric fields: Conditional quasisolvability via the quantum Hamilton-Jacobi theory. Physical Review A 97 (5), 053417 (2018).
Journal Article
Schaub, T.A., J.T. Margraf, L. Zakharov, K. Reuter and   R. Jasti: Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie International Edition 57 (50), 16348–16353 (2018).
Journal Article
Schaub, T.A., J.T. Margraf, L. Zakharov, K. Reuter and   R. Jasti: Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie 130 (50), 1586–16591 (2018).
Journal Article
Scheffler, M. and C. Draxl: Ein FAIRes Datenkonzept der von Big Data gesteuerten Materialwissenschaften. Jahrbuch / Max-Planck-Gesellschaft 12090594 (2018).
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).
Go to Editor View