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Abstract

The Influence of Non-Stoichiometry on the Order and Dynamics of Oxides Studied by Inelastic Neutron Scattering

by
A. Piovano
1,*,
A. Perrichon
2,‡,
M. Boehm
1 and
W. Paulus
2
1
Institut Laue-Langevin, 71 Avenue des Martyrs, 38000 Grenoble, France
2
Institut Charles Gerhardt, UMR 5253, CNRS-Université de Montpellier, 34000 Montpellier, France
*
Author to whom correspondence should be addressed.
†
Presented at the 37th International Symposium on Dynamical Properties of Solids—DyProSo 2019, Ferrara, Italy, 8–12 September 2019.
‡
Present address: Department of Physics and Astronomy, 751 20 Uppsala University, Uppsala, Sweden.
Proceedings 2019, 26(1), 49; https://doi.org/10.3390/proceedings2019026049
Published: 5 September 2019
(This article belongs to the Proceedings of The 37th International Symposium on Dynamical Properties of Solids)
Versions Notes
Oxygen ionic conductors are materials of fundamental interest for the development of ambient temperature working devices for energy conversion, such as solid oxide fuel cells (SOFC).
Inelastic and neutron scattering experiments, coupled with ab-initio molecular dynamics simulations (AIMD), give the unique chance to unveil the presence of specific low-energy modes favoring diffusion events and so explaining the unusual high mobility down to moderate temperatures.
Experiments and AIMD on Nd2NiO4 systems [1,2] allowed to depict the on-site motion of the diffusive species and understand the impact of oxygen over-stoichiometry on the lattice dynamics of the Nd2NiO4 framework. A recent analysis on a single crystal allowed us to go beyond and verify that this partially disordered non-stoichiometric system show both correlated and uncorrelated dynamics, quite surprising for a crystalline compound [3].

References

  1. Perrichon, A.; Piovano, A.; Boehm, M.; Zbiri, M.; Johnson, M.R.; Schober, H.; Ceretti, M.; Paulus, W. Lattice Dynamics Modified by Excess Oxygen in Nd2NiO4+δ – Triggering Low Temperature Oxygen Diffusion. J. Phys. Chem. C 2015, 119, 1557. [Google Scholar] [CrossRef]
  2. Piovano, A.; Perrichon, A.; Boehm, M.; Johnson, M.R.; Paulus, W. Positional recurrence maps, a powerful tool to de-correlate static and dynamical disorder in distribution maps from molecular dynamics simulations: the case of Nd2NiO4+d. Phys. Chem. Chem. Phys. 2016, 18, 17398. [Google Scholar] [CrossRef] [PubMed]
  3. Perrichon, A.; Piovano, A.; Boehm, M.; Lemee Cailleau, M.H.; Ceretti, M.; Paulus, W. Breakdown of the perfect crystal dynamics in dynamically disordered over-stoichiometric Nd2NiO4.25. In preparation. [CrossRef]

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MDPI and ACS Style

Piovano, A.; Perrichon, A.; Boehm, M.; Paulus, W. The Influence of Non-Stoichiometry on the Order and Dynamics of Oxides Studied by Inelastic Neutron Scattering. Proceedings 2019, 26, 49. https://doi.org/10.3390/proceedings2019026049

AMA Style

Piovano A, Perrichon A, Boehm M, Paulus W. The Influence of Non-Stoichiometry on the Order and Dynamics of Oxides Studied by Inelastic Neutron Scattering. Proceedings. 2019; 26(1):49. https://doi.org/10.3390/proceedings2019026049

Chicago/Turabian Style

Piovano, A., A. Perrichon, M. Boehm, and W. Paulus. 2019. "The Influence of Non-Stoichiometry on the Order and Dynamics of Oxides Studied by Inelastic Neutron Scattering" Proceedings 26, no. 1: 49. https://doi.org/10.3390/proceedings2019026049

APA Style

Piovano, A., Perrichon, A., Boehm, M., & Paulus, W. (2019). The Influence of Non-Stoichiometry on the Order and Dynamics of Oxides Studied by Inelastic Neutron Scattering. Proceedings, 26(1), 49. https://doi.org/10.3390/proceedings2019026049

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