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Structural Chemistry & Crystallography Communication
ISSN: 2470-9905
June 04-05, 2018
London, UK
Crystallography 2018
Page 13
3rd Edition of International Conference on
Advanced Spectroscopy,
Crystallography and Applications
in Modern Chemistry
3. Low temperature oxygen diffusion mechanisms in
Nd2NiO4+∂ and Pr2NiO4+∂ via large anharmonic
displacements, explored by single crystal neutron
diffraction, M. Ceretti, O. Wahyudi, A. Cousson, A.
Villesuzanne, M. Meven, B. Pedersen, J.-M. Bassat, W.
Paulus, JOURNAL OF MATERIALS CHEMISTRY A, 3, 42
(2015) p21140-48
4. Solid-state reactivity explored in situ by synchrotron
radiation on single crystals: from SrFeO2.5 to SrFeO3
via electrochemical oxygen intercalation, A. Maity, B.
Penkala, R. Dutta, M. Ceretti, A. Lebranchu, D. Chernyshov,
A. Perichon, A. Piovano, A. Bossak, M. Meven, W. Paulus,
J Physics D: Applied Physics, Special issue: 100 years of
crystallography: new dimensions offered by large scale
facilities, J. Phys. D: Appl. Phys. 48 (2015)
5. Positional Recurrence Maps: a powerful tool to de-
correlate static and dynamical disorder in distribution
maps from molecular dynamics simulations, Piovano,
Andrea, Perrichon, Adrien, Boehm, Martin, Johnson,
Mark, Paulus, Werner, Physical Chemistry Chemical
Physics, 2016,
6. Anisotropic Oxygen Diffusion Properties in Pr2NiO4+δ
and Nd2NiO4+δ Single Crystals, J-M Bassat, M. Burriel,
O. Wahyudi, M. Ceretti, P. Veber, I. Weill, A. Villesuzanne,
J-C Grenier, W. Paulus, and John A. Kilner, J PhysChemC,
2013, 117, 26466−26472,
7. A. Perrichon, A. Piovano, M. Boehm, M. Zbiri, M. Johnson,
H. Schober, M. Ceretti and W. Paulus, Lattice Dynamics
Modified by Excess Oxygen in Nd2NiO4+δ:, Triggering
Low-Temperature Oxygen Diffusion, J. Phys. Chem. C
2015, 119, 1557-1564.
Biography
Werner Paulus is exploring low temperature oxygen diffusionmechanisms in
transition metal oxides. Oxygen doping, via topotactic reaction mechanisms
while proceeding at ambient temperature is a powerful tool to access struc-
tural and electronic complexity in a controlled way. It also allows to better ex-
plore the underlying diffusion mechanisms on an atomic scale, having huge
importance in solid state ionics, e.g. for the optimisation of battery materials,
fuel cell membranes/electrolytes or sensors. Research activities cover syn-
thesis methods from powder to large single crystals and to explore oxygen
intercalation reactions in especially dedicated electrochemical cells on single
crystals and polycrystalline electrodes by neutron and X-ray diffraction (syn-
chrotron & laboratory), spectroscopy (XAFS, Raman, INS, IXS, NMR) com-
bined with 18O/16O oxygen isotope exchange reactions and sophisticated
data analysis (Maximum Entropy, twinning).