Synthesis and transport properties of the brannerite-type oxides Na1-xV1-xMo1+xO6

Synthesis and transport properties of the brannerite-type oxides Na1-xV1-xMo1+xO6 Научная публикация

Журнал

Ionics
ISSN: 0947-7047 , E-ISSN: 1862-0760

Вых. Данные

Год: 2024, Том: 30, Страницы: 7007-7016 Страниц : 10 DOI: 10.1007/s11581-024-05791-z

Ключевые слова

Sodium brannerite · Crystal structure · Ionic conductivity · Na-ion diffusion · Impedance spectroscopy · Solid state NMR · First-principles calculations

Авторы

Fedorov D.S. ^1,2 , Buzlukov A.L. ² , Maksimova L.G. ¹ , Medvedeva N.I. ¹ , Denisova T.A. ¹ , Tyutyunik A.P. ¹ , Korona D.V. ³ , Baklanova Ya.V. ¹ , Arapova I.Yu. ² , Zabolotskaya E.V. ¹ , Solodovnikov S.F. ⁴

Организации

1	Institute of Solid State Chemistry UB RAS, 620990, Ekaterinburg, Russia
2	M.N. Mikheev Institute of Metal Physics UB RAS, 620108, Ekaterinburg, Russia
3	Ural Federal University, 620002, Ekaterinburg, Russia
4	Nikolaev Institute of Inorganic Chemistry SB RAS, 630090, Novosibirsk, Russia

Widespread commercialization of sodium-ion batteries (SIB) is limited by the shortcomings of existing electrode materials, so the search and testing of various sodium compounds suitable for SIB are relevant. This paper presents the results of a study of the sodium diffusion mechanisms in quasi-layered oxides Na1-xV1-xMo1+xO6, which are potentially promising for applications for SIB. A simple synthesis procedure has been developed, which makes it possible to obtain compounds in a wide range of compositions up to x = 0.2. To elucidate the mechanisms of sodium diffusion, we applied a comprehensive approach that combines material characterization at the “macro” (XRD, impedance spectroscopy) and “atomic-scale” levels (NMR, ab-initio calculations). Our results reveal rather fast sodium dynamics: Ionic conductivity reaches the values of 10–3 S/cm at T > 730 K. It has been found moreover that the diffusion mechanism changes with increasing temperature. At T < 625 K, sodium motion occurs mainly along the crystallographic b axis due to atomic jumps with the shortest jump length ≈ 3.6 Å and activation energy Ea ~ 1 eV. With increasing temperature, another type of jumps along a axis (in the ab plane) with a jump length of ≈ 5 Å and a barrier value of 2 eV is also activated.

Fedorov D.S. , Buzlukov A.L. , Maksimova L.G. , Medvedeva N.I. , Denisova T.A. , Tyutyunik A.P. , Korona D.V. , Baklanova Y.V. , Arapova I.Y. , Zabolotskaya E.V. , Solodovnikov S.F.
Synthesis and transport properties of the brannerite-type oxides Na1-xV1-xMo1+xO6
Ionics. 2024. V.30. P.7007-7016. DOI: 10.1007/s11581-024-05791-z WOS Scopus РИНЦ OpenAlex

Поступила в редакцию:	16 мая 2024 г.
Принята к публикации:	19 авг. 2024 г.
Опубликована в печати:	23 авг. 2024 г.
Опубликована online:	23 авг. 2024 г.

Web of science:	WOS:001297079900001
Scopus:	2-s2.0-85201983330
РИНЦ:	73418452
OpenAlex:	W4401798571

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