A. Genreith‐Schriever

activity

20222025

most citedA foundation model for atomistic materials chemistry

249 citations · 402 across the 4 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

3 papers · 1 filter

cond-mat.mtrl-sci2025

Dome-like pressure-temperature phase diagram of the cooperative Jahn--Teller distortion in NaNiO $_{2}$

Liam A. V. Nagle-Cocco, James M. A. Steele, Shiyu Deng +6

NaNiO $_{2}$ is a Ni $^{3 +}$ -containing layered material consisting of alternating triangular networks of Ni and Na cations, separated by octahedrally-coordinated O anions. At ambient…

cond-mat.mtrl-sci2024

Displacive Jahn--Teller transition in NaNiO $_{2}$

Liam Agostino Vincenzo Nagle-Cocco, Annalena R. Genreith-Schriever, James M. A. Steele +10

Below its Jahn--Teller transition temperature, $T_{JT}$ , NaNiO $_{2}$ has a monoclinic layered structure consisting of alternating layers of edge-sharing NaO $_{6}$ and Jahn-Telle…

cond-mat.mtrl-sci2022★ 153 cited

Oxygen Hole Formation Controls Stability in LiNiO $_{2}$ Cathodes: DFT Studies of Oxygen Loss and Singlet Oxygen Formation in Li-Ion Batteries

A. R. Genreith-Schriever, H. Banerjee, A. S. Menon +4

Ni-rich cathode materials achieve both high voltages and capacities in Li-ion batteries but are prone to structural instabilities and oxygen loss via the formation of singlet oxyge…

Dome-like pressure-temperature phase diagram of the cooperative Jahn--Teller distortion in NaNiO2​

Displacive Jahn--Teller transition in NaNiO2​

Oxygen Hole Formation Controls Stability in LiNiO2​ Cathodes: DFT Studies of Oxygen Loss and Singlet Oxygen Formation in Li-Ion Batteries

Dome-like pressure-temperature phase diagram of the cooperative Jahn--Teller distortion in NaNiO $_{2}$

Displacive Jahn--Teller transition in NaNiO $_{2}$

Oxygen Hole Formation Controls Stability in LiNiO $_{2}$ Cathodes: DFT Studies of Oxygen Loss and Singlet Oxygen Formation in Li-Ion Batteries