SFB 458 SPP 1136 Structure and Dynamics of Disordered Ionic Materials 84th International Bunsen Discussion Meeting PROGRAMME 6-8 October, 2004 Münster / Germany Organisation: SFB 458 (Chair: Prof. Dr. K. Funke) and SPP 1136 (Chair: Prof. Dr. J. Janek) Some Conference pictures SCIENTIFIC PROGRAMME WEDNESDAY, 6 OCTOBER, 2004 8:40 a.m. OPENING REMARKS 11:00 a.m. SESSION II 3:00 p.m. M. Martin K. Funke STRUCTURE AND IONIC MOTION IN RWTH Aachen / Aachen, Germany Chair SFB 458, University of Münster / INORGANIC CRYSTALLINE PHASES Oxynitrides of gallium Münster, Germany Chair: C. Cramer 3:30 p.m. A. Weidenkaff J. Janek SFB 458, University of Münster / Münster, EMPA Zürich / Zürich, Chair SPP 1136, University of Gießen / Germany Switzerland Gießen, Germany Synthesis, structure and physical 11:00 a.m. W. Depmeier properties of perovskite oxynitrides 9:00 a.m. SESSION I University of Kiel / Kiel, Germany SYNTHESIS AND CHARACTERISATION Substitutional effects in the three 4:00 p.m. M. Wuttig OF NEW INORGANIC CRYSTALLINE partial structures of sodalites RWTH Aachen / Aachen, Germany PHASES Insertion of nitrogen into oxynitrides Chair: 11:30 a.m. P. Heitjans B. Krebs University of Hannover / Hannover, 4:30 p.m. COFFEE BREAK SFB 458, University of Münster / Münster, Germany Germany Atomic motion in intercalation com- 5:00 p.m. SESSION IV pounds STRUCTURE AND DIFFUSION IN 9:00 a.m. R. Pöttgen OXYNITRIDES SFB 458, University of Münster / Münster, 12:00 noon D. Wilmer Chair: Germany SFB 458, University of Münster / Münster, R. Dieckmann Lithium transition-metal stannides Germany Cornell University / Ithaca, NY, USA Picosecond dynamics in crystalline ion 9:30 a.m. H. Ebert conductors with rotational disorder 5:00 p.m. H. Boysen LMU München / München, Germany LMU München / München, Germany Magnetic properties and phase stability 12:30 p.m. LUNCH BREAK Diffusion pathways in Y,N-doped ZrO2 of Cr-chalcogenide compounds 3:00 p.m. SESSION III 5:30 p.m. M. Kilo 10:00 a.m. T. Norby SYNTHESIS AND CHARACTERISATION TU Clausthal / Clausthal-Zellerfeld, University of Oslo / Oslo, Norway OF OXYNITRIDES Germany On order-disorder phenomena in high Chair: Diffusion in (Me, Zr)-(O,N) temperature proton conducting oxides J. Janek Chair SPP 1136, University of Gießen / 6:00 p.m. I. Valov / J. Janek 10:30 a.m. COFFEE BREAK Gießen, Germany University of Gießen / Gießen, Germany Transport in nitrogen doped oxides THURSDAY, 7 OCTOBER, 2004 8:30 a.m. SESSION V 11:00 a.m. SESSION VI 3:00 p.m. B. Roling OXIDE-ION CONDUCTION IN SIMULATIONS AND MODELS FOR SFB 458, University of Münster / CRYSTALLINE PHASES CRYSTALLINE ELECTROLYTES Münster, Germany Chair: Chair: Spectroscopy by non-linear conduc- C. G. Vayenas M. Martin tivity and electrostatic force tech- University of Patras / Patras, Greece RWTH Aachen / Aachen, Germany niques for studying ion transport in nanostructured materials and thin 8:30 a.m. W. Sitte 11:00 a.m. K. Jug films Montanuniversität Leoben / Leoben, University of Hannover / Hannover, Germany Germany 3:30 p.m. C. A. Angell Ionic transport properties of oxygen- Anion substitution in zinc Arizona State University / Tempe, AZ, deficient perovskite oxides chalcogenides USA A pattern for super-Arrhenius 9:00 a.m. C. Grey 11:30 a.m. N. Allan conductivity in wholly or partially State University of New York / University of Bristol / Bristol, U.K. disordered ionic solids: cooperative Stony Brook, NY, USA Novel surface diffusion mechanisms in versus non-cooperative excitations Probing oxygen-ion mobility in oxide- ceramics ion conductors with one and two 4:00 p.m. K. Funke dimensional NMR methods 12:00 noon R. Grimes SFB 458, University of Münster / Imperial College / London, U.K. Münster, Germany 9:30 a.m. J. Fleig Attempts to realize the significance of Fragile ionic melts and the MPI für Festkörperforschung / Stuttgart, clusters on the distribution and fragile/strong transition Germany evolution of disorder in ionic solids Oxygen electrochemistry at oxide 4:30 p.m. COFFEE BREAK surfaces 12:30 p.m. LUNCH BREAK 5:00 p.m. Poster Session 10:00 a.m. T. Kawada 3:00 p.m. SESSION VII Tohoku University / Tohoku, Japan TECHNIQUES, PHENOMENA, Kinetics of oxygen exchange between CONCEPTS oxide ion conductor and gas phase Chair: K. D. Becker 10:30 a.m. COFFEE BREAK TU Braunschweig / Braunschweig, Germany FRIDAY, 8 OCTOBER, 2004 8:30 a.m. SESSION VIII SFB 458, University of Münster / Münster, A new model for ion transport in GLASSY ELECTROLYTES: Germany polymer electrolytes COMPOSITION, STRUCTURE AND ION DYNAMICS 11:00 a.m. A. N. Cormack 4:00 p.m. H. Bracht Chair: Alfred University / Alfred, NY, USA SFB 458, University of Münster / H. Mehrer MD simulations of ion transport in sili- Münster, Germany SFB 458, University of Münster / Münster, cate glasses Ion- and matrix dynamic in bulk and Germany sol-gel silicate glasses 11:30 a.m. A. Heuer 8:30 a.m. R. Dieckmann SFB 458, University of Münster / Münster, 4:30 p.m. COFFEE BREAK Cornell University / Ithaca, NY, USA Germany Cation diffusion in glasses and the Ion transport in single and mixed alkali 5:00 p.m. SESSION XI influence of water on it silicates: computer studies SOLID STATE IONICS: PRESENT AND FUTURE APPLICATIONS 9:00 a.m. E. I. Kamitsos 12:00 noon J. Horbach Chair: The National Hellenic Research University of Mainz / Mainz, Germany K. Funke Foundation / Athens, Greece Channel diffusion and intermediate SFB 458, University of Münster / Spectroscopic studies of ion- range order in alkali silicates: computer Münster, Germany exchange phenomena in glasses simulation studies 5:00 p.m. C. G. Vayenas 9:30 a.m. H. Eckert 12:30 p.m. LUNCH BREAK University of Patras / Patras, Greece SFB 458, University of Münster / Münster, Solid electrolytes in catalysis Germany 3:00 p.m. SESSION X Cation environments in glasses POLYMER AND THIN-FILM 5:30 p.m. H. I. Yoo ELECTROLYTES Seoul National University / Seoul, Korea 10:00 a.m. M. D. Ingram Chair: Defect engineering: Tailoring of ionic SFB 458 / Münster, Germany M. D. Ingram conductivity in BaTiO3 for MLCC and University of Aberdeen / Aberdeen, SFB 458 / Münster, Germany applications Scotland, U. K. and University of Aberdeen / Aberdeen, The mixed alkali effect – a puzzle Scotland, U. K. 6:00 p.m. J. Schoonman solved? Delft University of Technology / Delft, 3:00 p.m. H.-D. Wiemhöfer Netherlands 10:30 a.m. COFFEE BREAK SFB 458, University of Münster / Münster, Composite nanostructured lithium Germany battery materials 11:00 a.m. SESSION IX Inorganic polymer electrolytes GLASSY ELECTROLYTES: 7:30 p.m. CONFERENCE DINNER SIMULATION AND THEORY 3:30 p.m. N. Stolwijk Honouring M.D. Ingram on the occasion Chair: SFB 458, University of Münster / of his 65th birthday Münster, Germany H. Eckert 1 POSTER PRESENTATIONS List of posters in alphabetical order P1 M. Alves, K.D. Becker TU Braunschweig / Braunschweig, Germany Perturbed γ - γ angular correlation (PAC) P2 S. Balomenou, A.D. Katsaounis, C.G. Vayenas University of Patras / Patras, Greece Electrochemical promotion and metal-support Interactions with O2- conducting supports: Size effects and modelling of the role of O2- spillover P3 D. Benea, H. Ebert, W. Bensch, Z.-L. Huang LMU München / München, Germany Exchange-coupling parameters and Curie-temperatures in Cr-chalcogenide compounds P4 A. Börger, K.D. Becker TU Braunschweig / Braunschweig, Germany In-situ spectroscopy of nitrided oxides P5 T. Bredow, T. Homann University of Hannover / Hannover, Germany Quantum chemical simulations of defects in zirconia P6 M. Burjanadze, N. Kaskhedikar, J. Paulsdorf, H.-D. Wiemhöfer SFB 458, University of Münster / Münster, Germany Mono- and mixed-substituent poly(aryloxy)phosphazenes with acid functional groups P7 C. Cramer, Y. Gao, S. Pas, A. Hill, M.D. Ingram SFB 458, University of Münster / Münster, Germany Structure and dynamics of mixed alkali borate glasses P8 C. Cramer, D. Zielniok SFB 458, University of Münster / Münster, Germany Ion dynamics in silver pyrophosphate glasses 2 P9 W. Depmeier, G. Vega-Flores University of Kiel / Kiel, Germany The sodalite solid-solution system Ca8[Al12O24](Mo1xWxO4)2 P10 M.-A. Dragan, M. Schroeder RWTH Aachen / Aachen, Germany Defect chemistry and transport properties of Sr-doped Lanthanum Nickel Oxide P11 S.G. Ebbinghaus, * A. Weidenkaff, A. Rachel, A. Reller University of Augsburg / Augsburg, Germany; * EMPA Zürich / Zürich, Switzerland Perovskite oxynitrides: preparation, structure and thermal stability P12 J. D. Epping, H. Eckert SFB 458, University of Münster / Münster, Germany Spatial distribution of alkali ions in borate glasses P13 C.L. Freeman, F. Claeyssens, N.L. Allan School of Chemistry, University of Bristol / Bristol, U. K. Mechanism for zinc oxide thin film growth investigated by ab initio calculations P14 Y. Gao, C. Cramer SFB 458, University of Münster / Münster, Germany Mixed cation effects in alkali borate glasses with two and three types of alkali ions P15 K. Gömann, G. Borchardt et al. TU Clausthal / Clausthal-Zellerfeld, Germany Cation diffusion in donor-doped SrTiO3 (Preliminary!) P16 C. Haavik, T. Norby University of Oslo / Oslo, Norway Protons and order-disorder in complex perovskites P17 A. Hammerschmidt, S. Pütz, M. Döch, B. Krebs SFB 458, University of Münster / Münster, Germany Sodiumselenoborato-closo-dodecaborates 3 P18 Z.-L. Huang, W. Bensch, D. Benea, H. Ebert University of Kiel / Kiel, Germany Syntheses, crystal structures, electronic band structures, and magnetic properties of Cr5-xTixTe8 P19 Á.W. Imre, S. Voss, H. Mehrer SFB 458, University of Münster / Münster, Germany Tracer diffusion and ionic conduction in Na-Rb borate glasses P20 Á.W. Imre, S. Voss, F. Berkemeier, H. Mehrer SFB 458, University of Münster / Münster, Germany Ionic motion in single- and mixed-alkali Na-Rb borate glasses P21 E. Jordan, H. Koller SFB 458, University of Münster / Münster, Germany Solid state NMR investigation of ion dynamics in sodalites P22 I.