Jahn–Teller Distortions and Phase Transitions in LiNiO2: Insights from Ab Initio Molecular Dynamics and Variable-Temperature X-ray Diffraction
AR Genreith-Schriever, A Alexiu, GS Phillips… - Chemistry of …, 2024 - ACS Publications
The atomistic structure of lithium nickelate (LiNiO2), the parent compound of Ni-rich layered
oxide cathodes for Li-ion batteries, continues to elude a comprehensive understanding. The …
oxide cathodes for Li-ion batteries, continues to elude a comprehensive understanding. The …
Oxygen Dimerization as a Defect-Driven Process in Bulk LiNiO2
To explore the possibility of oxygen dimerization─ particularly, the formation of molecular
oxygen-like species─ in the bulk of LiNiO2 lithium ion cathode materials at high states of …
oxygen-like species─ in the bulk of LiNiO2 lithium ion cathode materials at high states of …
Insights into the do** functions on redox chemistry of layered Ni-rich cathodes
Z Wang, Y Chen - Journal of Energy Chemistry, 2024 - Elsevier
In pursuit of low cost and long life for lithium-ion batteries in electric vehicles, the most
promising strategy is to replace the commercial LiCoO 2 with a high-energy-density Ni-rich …
promising strategy is to replace the commercial LiCoO 2 with a high-energy-density Ni-rich …
Effect of Cobalt Substitution on the Activation of the LiNiO2 Discharge Reaction
H Kaneda, Y Furuichi, T Yoshida, A Ikezawa… - Inorganic …, 2024 - ACS Publications
Cobalt (Co) has been introduced to most of the practical Ni-rich layered positive electrode
materials owing to its ability to stabilize the layered structure and lessen cation-mixing …
materials owing to its ability to stabilize the layered structure and lessen cation-mixing …
Identifying Split Vacancies with Foundation Models and Electrostatics
SR Kavanagh - arxiv preprint arxiv:2412.19330, 2024 - arxiv.org
Point defects are ubiquitous in solid-state compounds, dictating many functional properties
such as conductivity, catalytic activity and carrier recombination. Over the past decade, the …
such as conductivity, catalytic activity and carrier recombination. Over the past decade, the …
Structural Elucidation of Na2/3NiO2, A Dynamically Stabilised Cathode Phase with Ni Charge-and Na Vacancy-Ordering
JMA Steele, AR Genreith-Schriever, JD Bocarsly… - 2025 - chemrxiv.org
NaNiO2 (NNO) has been investigated as a promising sodium-ion battery (NIB) cathode
material, but it is limited by degradation-induced capacity fade. On desodiation, NNO forms …
material, but it is limited by degradation-induced capacity fade. On desodiation, NNO forms …