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Journal of Materials Chemistry A

A modified lattice model allows for the first time to simulate realistic voltage curves accounting for off-stoichiometry and substitution strategies in cathode materials.

Atomistic understanding of the LiNiO<sub>2</sub>–NiO<sub>2</sub> phase diagram from experimentally guided lattice models

Atomistic understanding of the LiNiO2–NiO2 phase diagram from experimentally guided lattice models

Atomistic understanding of the LiNiO₂–NiO₂ phase diagram from experimentally guided lattice models