Electrolyte material and methods of forming
A solid electrolyte material can include a halide-based material having a crystalline structure including a disorder. In an embodiment, the solid electrolyte material can include a crystalline structure include stacking faults. In another embodiment, the solid electrolyte material can include a crystalline phase including a crystalline structure represented by a space group of the hexagonal crystal system or a space group of a rhombohedral lattice system. In another embodiment, the solid electrolyte material can include a crystalline phase including a crystalline structure represented by a monoclinic space group and a unit cell containing a reduced number of halogen atoms.
1. A solid electrolyte material, comprising:
a halide-based material represented by M 3−z (Me k+ ) f X 3−z+k*f , wherein −3≤z<3; 2≤k≤6; 0<f≤1; M comprises an alkali metal element including Li; Me comprises a rare earth element, Zn, Zr, Hf, Ti, Sn, Th, Ge, V, Ta, Nb, Mo, W, Sb, Te, In, Bi, Al, Ga, Fe, Cu, an alkaline earth metal element, or any combination thereof; and X comprises a halogen including at least one of Cl and Br and including a crystalline structure including stacking faults of at least 20% and a total content of MX of not greater than 9 wt% for a total weight of the halide-based material.
2. The solid electrolyte material of claim 1 , wherein the crystalline structure is represented by C2/m space group.
3. The solid electrolyte material of claim 1 , wherein the crystalline structure comprises at least 50% stacking faults, an average diffraction crystallite size of at least 25 nm, a corrected average FWHM of less than 1.5%, or a combination thereof.
4. The solid electrolyte material of claim 1 , wherein X-ray diffraction pattern measured with Cu K-alpha radiation includes an absence of a peak between 16° and 25° 2-theta.
5. The solid electrolyte material of claim 1 , wherein M comprises Na.
6. The solid electrolyte material of claim 1 , wherein Me comprises a rare earth element, In, Al, Zr, Sn, or any combination thereof.
7. The solid electrolyte material of claim 1 , wherein Me comprises Y and In.
8. The solid electrolyte material of claim 7 , wherein X comprises Cl and Br.
9. The solid electrolyte material of claim 1 , wherein the solid electrolyte material consists of Li, Y, Cl, and Br.
10. The solid electrolyte material of claim 1 , comprising a crystalline phase comprising a crystalline structure represented by P-3m1 or Pnma space group.
11. The solid electrolyte material of claim 1 , comprising a crystalline phase comprising a crystalline structure represented by C2/m space group.
12. A solid electrolyte material, comprising
a halide-based material represented by M 3−z (Me k+ ) f X 3−z+k*f , wherein −3≤z<3; 2≤k≤6; 0≤f≤1; M comprises an alkali metal element including Li and optionally one or more of Na, K, Rb, and Cs; Me comprises a divalent metal element, a trivalent metal element, a tetravalent metal element, a pentavalent metal element, a hexavalent metal element, or any combination thereof; and X comprises a halogen including at least one of Cl and Br,
wherein the halide-based material comprises:
at least two cations;
a crystalline structure represented by a rhombohedral space group or a hexagonal space group; and
a total content of MX of not greater than 9 wt% for a total weight o the halide-based material.
13. The solid electrolyte material of claim 12 , comprising a crystalline phase comprising a crystalline structure represented by R-3m space group.
14. The solid electrolyte material of claim 12 , comprising a crystalline phase comprising a crystalline structure represented by P6 3 /mcm or P6 3 /mmc space group.
15. The solid electrolyte material of claim 12 , wherein M comprises Li, Na, or a combination thereof, wherein Me comprises Y, Ce, Gd, Er, Zr, La, Yb, In, Mg, Zn, Sn, Fe, Ca, Mg, Sr, or any combination thereof, and wherein X comprises at least one of Br and Cl.
16. The solid electrolyte material of claim 12 , comprising an average diffraction crystallite size of at least 25 nm and at most 500 nm.
17. The solid electrolyte material of claim 12 , wherein the crystalline structure comprises:
atomically disordered vacancy and Me atoms;
disordered X1 and X2 atoms, wherein X1 and X2 represent two different halogen atoms;
disordered vacancy sites and M atoms;
disordered M and Me atoms;
disordered M, Me, and vacancy atoms; or
any combination thereof.
18. A solid electrolyte material, comprising:
a halide-based material represented by M 3−z (Me k+ ) f X 3−z+k*f , wherein −3≤z<3; 2≤k≤6; 0≤f≤1; M comprises an alkali metal element including Li; Me comprises a rare earth element, Zn, Zr, Hf, Ti, Sn, Th, Ge, V, Ta, Nb, Mo, W, Sb, Te, In, Bi, Al, Ga, Fe, Cu, an alkaline earth metal element, or any combination thereof; and X comprises a halogen including at least one of Cl, F, and Br; and including a crystalline structure represented by a monoclinic space group having a unit cell containing between 3 and 5 halide atoms; and a total content of MX of not greater than 9 wt% for a total weight of the halide-based material.
19. The solid electrolyte material of claim 18 , comprising a crystalline phase comprising a crystalline structure represented by C2/m space group.
20. The solid electrolyte material of claim 18 , comprising a layered atomic arrangement.