Sodium-ion diffusion in alluaudite Na5In(MoO4)4
| Autor: | E.G. Khaikina, Yana V. Baklanova, A. L. Buzlukov, Т.А. Denisova, A.V. Skachkov, I. E. Animitsa, N. I. Medvedeva, A.A. Savina |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Sodium chemistry.chemical_element 02 engineering and technology General Chemistry Activation energy Electrolyte Conductivity 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 0104 chemical sciences chemistry Chemical physics Ionic conductivity General Materials Science Lithium Diffusion (business) 0210 nano-technology Indium |
| Zdroj: | Solid State Ionics. 351:115328 |
| ISSN: | 0167-2738 |
| DOI: | 10.1016/j.ssi.2020.115328 |
| Popis: | Alluaudite phases are very attractive as both cathode and electrolyte materials for rechargeable sodium-ion batteries. In this work, the combined experimental and DFT studies have been performed to establish the diffusion mechanism in alluaudite-like compound Na5In(MoO4)4. The ionic conductivity was found to reach 3.3 × 10−4 S/сm at 687 K, with an activation energy of 0.66 eV. The sodium diffusion mechanisms have been revealed from the analysis of the 23Na NMR spectra along with the DFT estimations of Na-ion migration barriers. Our results predict that one-dimensional diffusion of sodium in the separate channels along the c-axis is accompanied by the cross-linking jumps providing two-dimensional diffusion in the bc-plane. It is clearly demonstrated that the indium deficiency favors 2D diffusion, but sharply increases the energy barrier for 1D diffusion. Comparison of our results for Na5In(MoO4)4 and related Na5Sc(MoO4)4 shows that the type and deficiency of M-metal in the NaxMy(MoO4)z alluaudites can control the sodium diffusion. The present work highlights the key aspects of cation influence on the diffusion properties in alluaudite materials. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect