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Experimental visualization of the diffusion pathway of sodium ions in the Na 3 [Ti 2 P 2 O 10 F] anode for sodium-ion battery

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ABSTRACT

Sodium-ion batteries have attracted considerable interest as an alternative to lithium-ion batteries for electric storage applications because of the low cost and natural abundance of sodium resources. The materials with an open framework are highly desired for Na-ion insertion/extraction. Here we report on the first visualization of the sodium-ion diffusion path in Na3[Ti2P2O10F] through high-temperature neutron powder diffraction experiments. The evolution of the Na-ion displacements of Na3[Ti2P2O10F] was investigated with high-temperature neutron diffraction (HTND) from room temperature to 600°C; difference Fourier maps were utilized to estimate the Na nuclear-density distribution. Temperature-driven Na displacements indicates that sodium-ion diffusion paths are established within the ab plane. As an anode for sodium-ion batteries, Na3[Ti2P2O10F] exhibits a reversible capacity of ~100 mAh g−1 with lower intercalation voltage. It also shows good cycling stability and rate capability, making it promising applications in sodium-ion batteries.

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(a) Enhanced anisotropic motion of Na atoms at 600°C, with the major axis of the ellipsoids (90% probability) along the diagonals of the unit cell. (b) ab projection suggesting the jumping path of Na+ ions to neighboring unit cells from partially occupied 8h sites.
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f5: (a) Enhanced anisotropic motion of Na atoms at 600°C, with the major axis of the ellipsoids (90% probability) along the diagonals of the unit cell. (b) ab projection suggesting the jumping path of Na+ ions to neighboring unit cells from partially occupied 8h sites.

Mentions: Furthermore, at higher temperatures the Na displacement factors become very anisotropic, as shown in Figure 5. Looking at one ab layer, we see that the Na ellipsoids are elongated along the unit-cell diagonals, suggesting that a jump from Na sites at adjacent unit cells is possible, thus allowing the 2D motion. They jump though a wide window formed by two F− ions very far apart (≈6.4 Å), so the potential barrier to prevent this jump is very low. Based on the NPD results, we propose that the sodium ion diffusion paths may follow a trajectory through the ab plane, as shown in Figure 5b.


Experimental visualization of the diffusion pathway of sodium ions in the Na 3 [Ti 2 P 2 O 10 F] anode for sodium-ion battery
(a) Enhanced anisotropic motion of Na atoms at 600°C, with the major axis of the ellipsoids (90% probability) along the diagonals of the unit cell. (b) ab projection suggesting the jumping path of Na+ ions to neighboring unit cells from partially occupied 8h sites.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5384114&req=5

f5: (a) Enhanced anisotropic motion of Na atoms at 600°C, with the major axis of the ellipsoids (90% probability) along the diagonals of the unit cell. (b) ab projection suggesting the jumping path of Na+ ions to neighboring unit cells from partially occupied 8h sites.
Mentions: Furthermore, at higher temperatures the Na displacement factors become very anisotropic, as shown in Figure 5. Looking at one ab layer, we see that the Na ellipsoids are elongated along the unit-cell diagonals, suggesting that a jump from Na sites at adjacent unit cells is possible, thus allowing the 2D motion. They jump though a wide window formed by two F− ions very far apart (≈6.4 Å), so the potential barrier to prevent this jump is very low. Based on the NPD results, we propose that the sodium ion diffusion paths may follow a trajectory through the ab plane, as shown in Figure 5b.

View Article: PubMed Central - PubMed

ABSTRACT

Sodium-ion batteries have attracted considerable interest as an alternative to lithium-ion batteries for electric storage applications because of the low cost and natural abundance of sodium resources. The materials with an open framework are highly desired for Na-ion insertion/extraction. Here we report on the first visualization of the sodium-ion diffusion path in Na3[Ti2P2O10F] through high-temperature neutron powder diffraction experiments. The evolution of the Na-ion displacements of Na3[Ti2P2O10F] was investigated with high-temperature neutron diffraction (HTND) from room temperature to 600°C; difference Fourier maps were utilized to estimate the Na nuclear-density distribution. Temperature-driven Na displacements indicates that sodium-ion diffusion paths are established within the ab plane. As an anode for sodium-ion batteries, Na3[Ti2P2O10F] exhibits a reversible capacity of ~100 mAh g−1 with lower intercalation voltage. It also shows good cycling stability and rate capability, making it promising applications in sodium-ion batteries.

No MeSH data available.


Related in: MedlinePlus