Intermetallic anode materials for lithium-ion batteries
Particular embodiments may provide an anode material, comprising a compound of formula Li 2 —X—Y, wherein: X and Y are each independently a metal atom or a metalloid atom; the anode material has a discharge potential of less than about 0.4 V vs. Li/Li + ; and the molar ratio of Li:X:Y is 2:1:1.
1 . A negative electrode comprising:
an anode material comprising a compound of formula Li 2 —X—Y; and
one or more additional materials selected from the group consisting of C, Si, SiC, and SiO x1 wherein x1 is less than or equal to 2;
wherein: X and Y are each independently a metal atom or a metalloid atom, and the anode material has a discharge potential of between 0 to about 0.4 V vs. Li/Li + , and the molar ratio of Li:X:Y is 2:1:1; and
wherein the anode material is coated with a layer of carbon.
2 . The negative electrode of claim 1 , wherein X is Ca, Mg, or Al.
3 . The negative electrode of claim 1 , wherein Y is Si, Ga, or Ag.
4 . The negative electrode of claim 1 , wherein X is Ca, Mg, or Al;
and Y is Si, Ga, or Ag.
5 . The negative electrode of claim 1 , wherein the compound is Li 2 CaSi, Li 2 MgGa, or Li 2 AlAg.
6 . The negative electrode of claim 1 , wherein X is Mg or Al.
7 . The negative electrode of claim 1 , wherein Y is Si or Ga.
8 . The negative electrode of claim 1 , wherein the compound is Li 2 MgSi, or Li 2 AlGa.
9 . The negative electrode of claim 1 , wherein the anode material has a discharge potential of between 0 to about 0.1 V vs. Li/Li + .
10 . The negative electrode of claim 1 , wherein the compound has a cubic unit cell.
11 . The negative electrode of claim 10 , wherein the cubic unit cell has an Fm3m or F43m space group.
12 . The negative electrode of claim 1 , wherein the energy above the convex hull (Ehull) of the compound is less than about 25 meV/atom.
13 . The negative electrode of claim 1 , wherein the compound has a bandgap (Eg) of less than about 1.2 eV.
14 . The negative electrode of claim 1 , wherein the anode material has a theoretical capacity of greater than about 372 mA h/g.
15 . The negative electrode of claim 1 , wherein the anode material does not comprise an over-lithiated form of the compound.
16 . The negative electrode of claim 1 , wherein the compound is susceptible to side decomposition reactions upon discharging.
17 . The negative electrode of claim 1 , wherein the one or more additional materials is Si.
18 . The negative electrode of claim 1 , wherein the one or more additional materials is SiC.
19 . The negative electrode of claim 1 , wherein the one or more additional materials is SiO x1 .