. 2020 Mar 25;11:1550. doi: 10.1038/s41467-020-15355-0

Table 2.

Comparison of the crystal field stabilization energies (CFSE) of the transition-metal ions M³⁺ in NMC cathodes.

Ion	Octahedral CFSE^a	Tetrahedral CFSE^b	Octahedral-site stabilization energy (OSSE)^c
Mn³⁺: d⁴	t₂³e¹: −0.6 Δ_o	e²t₂²: −0.18 Δ_o	−0.42 Δ_o
Ni³⁺: d⁷	t₂⁶e¹: −1.88 Δ_o	e⁴t₂³: −0.53 Δ_o	−1.35 Δ_o
Co³⁺: d⁶	t₂⁶e⁰: −2.4 Δ_o	e³t₂³: −0.27 Δ_o	−2.13 Δ_o

^aΔ_o Refers to octahedral-site splitting; for simplicity, the pairing energies are ignored.

^btetrahedral splitting Δ_t was converted to octahedral splitting by the relation Δ_t = 0.44 Δ_o.

^cOSSE = octahedral CFSE − tetrahedral CFSE.