Academic Journal
Direct observation of oxide ion dynamics in La2Mo2O9 on the nanosecond timescale.
| العنوان: | Direct observation of oxide ion dynamics in La2Mo2O9 on the nanosecond timescale. |
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| المؤلفون: | Peet, J.R., Fuller, C.A., Frick, B., Zbiri, M., Piovano, A., Johnson, M.R., Radosavljevic Evans, I. |
| المصدر: | Chemistry of materials, 2017, Vol.29(7), pp.3020-3028 [Peer Reviewed Journal] |
| بيانات النشر: | American Chemical Society |
| سنة النشر: | 2017 |
| المجموعة: | Durham University: Durham Research Online |
| الوصف: | Quasielastic neutron scattering (QENS), underpinned by ab-initio molecular dynamics (AIMD) simulations, has been used to directly observe oxide ion dynamics in solid electrolyte La2Mo2O9 on the nanosecond timescale, the longest timescale probed in oxide ion conductors by neutron scattering to date. QENS gives the activation energy of 0.61(5) eV for this process, while AIMD simulations reveal that the exchange processes, which ultimately lead to long-range oxide ion diffusion in La2Mo2O9, rely on the flexibility of the coordination environment around Mo6+, with oxide ions jumps occurring between vacant sites both within and between Mo coordination spheres. Simulations also differentiate between the crystallographic sites which participate in the oxide ion exchange processes, offering the first atomic-level understanding of the oxide ion dynamics in La2Mo2O9, which is consistent with the macroscopic experimental observations on this material. |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | application/pdf |
| اللغة: | unknown |
| تدمد: | 0897-4756 1520-5002 |
| Relation: | dro:21374; http://dro.dur.ac.uk/21374/; https://doi.org/10.1021/acs.chemmater.6b05507; http://dro.dur.ac.uk/21374/1/21374.pdf |
| DOI: | 10.1021/acs.chemmater.6b05507 |
| الاتاحة: | http://dro.dur.ac.uk/21374/ http://dro.dur.ac.uk/21374/1/21374.pdf https://doi.org/10.1021/acs.chemmater.6b05507 |
| Rights: | This document is the Accepted Manuscript version of a Published Work that appeared in final form in Chemistry of Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.chemmater.6b05507. |
| رقم الانضمام: | edsbas.9DF21DC9 |
| قاعدة البيانات: | BASE |
| تدمد: | 08974756 15205002 |
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| DOI: | 10.1021/acs.chemmater.6b05507 |