Electrode Materials

Cathodes and anodes for Li-ion and Na-ion batteries: crystal structure, average voltage, theoretical capacity (computed from the formula) and typical practical capacity, each with its sources.

Voltage vs capacity

  • Cathodes
  • Anodes
  • Theoretical capacity
0.01.02.03.04.0100150300500700100015003000Specific capacity (mAh/g, log scale)Average voltage (V vs Li/Li⁺)LMOLCONMC111NMC811NCALFPLTOSiliconGraphiteLithium metal

LCO

Lithium cobalt oxide

Cathode · Li⁺

LiCoO₂

Structure
Layered (α-NaFeO₂ type) · Trigonal R3m (No. 166)
Voltage
≈3.8 V vs Li/Li⁺[32, 33, 34]
Theoretical
1 × 96485 C/mol ÷ (3.6 × 97.87 g/mol) = 273.8 mAh/g (1 Li per LiCoO₂)
Practical
≈140–150 mAh/g
Specific energy
≈560 Wh/kg (material level, Q × V)
Cycle life
Good when charged to ~4.2 V; fades faster at higher cut-off voltages.
  • High volumetric energy density
  • Simple, mature manufacturing
  • Cobalt is costly and supply-constrained
  • Only about half of the lithium can be cycled

NMC111

Lithium nickel manganese cobalt oxide (1:1:1)

Cathode · Li⁺

LiNi₁/₃Mn₁/₃Co₁/₃O₂

Structure
Layered (α-NaFeO₂ type) · Trigonal R3m (No. 166)
Voltage
≈3.7 V vs Li/Li⁺[32, 37]
Theoretical
1 × 96485 C/mol ÷ (3.6 × 96.46 g/mol) = 277.9 mAh/g (1 Li per formula unit)
Practical
150 mAh/g (3.5–4.2 V); 200 mAh/g up to 5.0 V
Specific energy
≈560 Wh/kg (material level, Q × V)
Cycle life
Good; a common choice for long-life electric-vehicle cells.
  • Balanced capacity, safety and cost
  • Less cobalt than LCO
  • Still contains cobalt
  • Lower voltage than LCO

NMC811

Nickel-rich NMC (8:1:1)

Cathode · Li⁺

LiNi₀.₈Mn₀.₁Co₀.₁O₂

Structure
Layered (α-NaFeO₂ type) · Trigonal R3m (No. 166)
Voltage
≈3.7 V vs Li/Li⁺[38, 39]
Theoretical
1 × 96485 C/mol ÷ (3.6 × 97.28 g/mol) = 275.5 mAh/g (1 Li per formula unit)
Practical
≈200 mAh/g
Specific energy
≈740 Wh/kg (material level, Q × V)
Cycle life
>95% capacity kept after 100 half-cell cycles; Ni-richer grades fade faster.
  • High capacity
  • Little cobalt
  • Particle cracking and surface reactivity
  • Needs careful processing (moisture, Li residues)

NCA

Lithium nickel cobalt aluminium oxide

Cathode · Li⁺

LiNi₀.₈Co₀.₁₅Al₀.₀₅O₂

Structure
Layered (α-NaFeO₂ type) · Trigonal R3m (No. 166)
Voltage
≈3.7 V vs Li/Li⁺[32]
Theoretical
1 × 96485 C/mol ÷ (3.6 × 96.08 g/mol) = 278.9 mAh/g (1 Li per formula unit)
Practical
≈199 mAh/g
Specific energy
≈740 Wh/kg (material level, Q × V)
Cycle life
Good, but sensitive to high temperature and deep cycling.
  • High capacity and specific energy
  • Aluminium improves stability
  • Contains cobalt and nickel
  • Thermal stability lower than LFP

LFP

Lithium iron phosphate

Cathode · Li⁺

LiFePO₄

Structure
Olivine · Orthorhombic Pnma (No. 62)
Voltage
≈3.4–3.5 V (flat) vs Li/Li⁺[32, 35]
Theoretical
1 × 96485 C/mol ÷ (3.6 × 157.75 g/mol) = 169.9 mAh/g (1 Li per LiFePO₄)
Practical
≈160–165 mAh/g
Specific energy
≈570 Wh/kg (material level, Q × V)
Cycle life
Very long; the most durable common cathode.
  • Cheap, abundant iron; no cobalt or nickel
  • Very safe and long-lived
  • Lower voltage and energy density
  • Needs carbon coating and small particles to conduct

LMO

Lithium manganese oxide spinel

Cathode · Li⁺

LiMn₂O₄

Structure
Spinel · Cubic Fd3m (No. 227)
Voltage
≈4.1 V vs Li/Li⁺[32, 36, 55]
Theoretical
1 × 96485 C/mol ÷ (3.6 × 180.81 g/mol) = 148.2 mAh/g (1 Li per LiMn₂O₄)
Practical
≈120 mAh/g
Specific energy
≈490 Wh/kg (material level, Q × V)
Cycle life
Moderate; manganese dissolves at elevated temperature and poisons the anode.
  • Cheap, non-toxic manganese
  • 3D Li⁺ pathways: good power
  • Lowest capacity of the common cathodes
  • Mn dissolution shortens life

Graphite

Graphite

Anode · Li⁺

C₆ → LiC₆

Structure
Layered (graphene sheets, AB stacking) · Hexagonal P63/mmc (No. 194)
Voltage
≈0.1–0.2 V (staging plateaus) vs Li/Li⁺[32, 42]
Theoretical
1 × 96485 C/mol ÷ (3.6 × 72.07 g/mol) = 371.9 mAh/g (1 Li per C₆ (LiC₆), per gram of carbon)
Practical
≈350–360 mAh/g
Cycle life
Long; the standard anode of commercial Li-ion cells.
  • Low, flat potential gives high cell voltage
  • Cheap and long-lived
  • Near 0 V: lithium plating risk at fast charge or low temperature
  • Capacity limited to LiC₆

Silicon

Silicon

Anode · Li⁺

Si → Li₁₅Si₄

Structure
Diamond cubic (amorphous once lithiated) · Cubic Fd3m (No. 227)
Voltage
≈0.4 V vs Li/Li⁺[40]
Theoretical
3.75 × 96485 C/mol ÷ (3.6 × 28.09 g/mol) = 3578.6 mAh/g (3.75 Li per Si (Li₁₅Si₄), per gram of silicon)
Practical
Thousands of mAh/g in principle; usually blended into graphite
Cycle life
Short for pure Si: about 280% volume expansion cracks particles and the SEI.
  • Roughly ten times the capacity of graphite
  • Abundant and cheap
  • Huge volume change on lithiation
  • Continuous SEI growth consumes lithium

LTO

Lithium titanate spinel

Anode · Li⁺

Li₄Ti₅O₁₂ → Li₇Ti₅O₁₂

Structure
Spinel ('zero-strain') · Cubic Fd3m (No. 227)
Voltage
1.55 V (flat) vs Li/Li⁺[41]
Theoretical
3 × 96485 C/mol ÷ (3.6 × 459.08 g/mol) = 175.1 mAh/g (3 Li per Li₄Ti₅O₁₂)
Practical
≈170 mAh/g
Cycle life
Excellent: the lattice barely changes size, so particles do not degrade.
  • No volume change ('zero strain')
  • Safe: far above lithium-plating potential
  • High potential lowers cell voltage and energy
  • Lower capacity than graphite

Lithium metal

Lithium metal

Anode · Li⁺

Li

Structure
Body-centred cubic metal · Cubic Im3m (No. 229)
Voltage
0 V (reference) vs Li/Li⁺[43]
Theoretical
1 × 96485 C/mol ÷ (3.6 × 6.94 g/mol) = 3861.9 mAh/g (per gram of lithium)
Practical
≈3860 mAh/g
Cycle life
Limited by dendrites and low Coulombic efficiency; a key target for solid electrolytes.
  • Highest capacity and lowest potential possible
  • Enables Li–S and solid-state cells
  • Dendrites can short-circuit the cell
  • Reacts with liquid electrolytes