Papers › Theory of layered-oxide cathode degradation in Li-ion batteries by oxidation-induced...
Theory of layered-oxide cathode degradation in Li-ion batteries by oxidation-induced cation disorder
Debbie Zhuang, Martin Z. Bazant
The archive published only this paper's code-link row. Authors, date and abstract are from arXiv's metadata (CC0), read from the Kaggle arXiv metadata snapshot of 2026-09-12 where its title matched the archive's; the title is the archive's.
Disorder-driven degradation phenomena, such as structural phase transformations and surface reconstructions, can significantly reduce the lifetime of Li-ion batteries, especially those with nickel-rich layered-oxide cathodes. We develop a general free energy model for layered-oxide ion-intercalation materials as a function of the degree of disorder, which represents the density of defects in the host crystal. The model accounts for defect core energies, long-range dipolar electrostatic forces, and configurational entropy of the solid solution. In the case of nickel-rich oxides, we hypothesize that nickel with a high concentration of defects is driven into the bulk by electrostatic forces as oxidation reactions at the solid-electrolyte interface reduce nickel and either evolve oxygen gas or oxidize the organic electrolyte at high potentials (>4.4V vs. Li/Li+). The model is used in battery cycling simulations to describe the extent of cathode degradation when using different voltage cutoffs, in agreement with experimental observations that lower-voltage cycling can substantially reduce cathode degradation. The theory provides a framework to guide the development of cathode compositions, coatings and electrolytes to enhance rate capability and enhance battery lifetime. The general theory of cation-disorder formation may also find applications in electrochemical water treatment and ion separations, such as lithium extraction from brines, based on competitive ion intercalation in battery materials.
Code
Repository list and official/mentioned flags are the archive's, frozen 2025-07-28. Reachability, where shown, is from one Syntology probe window (2026-09-16 to 2026-09-18); repositories not probed show nothing. GitHub stars are not tracked.
Code Syntology ran Syntology
Not run by Syntology. Nothing on this page verifies that the listed code works.
Results from the paper archive 2025-07-28
No leaderboard rows for this paper in the archive.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections