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cond-mat.mtrl-sci2025★ 3 cited
Modeling phase transformations in Mn-rich disordered rocksalt cathodes with machine learning interatomic potentials
Peichen Zhong, Bowen Deng, Shashwat Anand +2
Mn-rich disordered rocksalt (DRX) cathode materials exhibit a phase transformation from a disordered to a partially disordered spinel-like structure (-phase) during electrochemi…
cond-mat.mtrl-sci2025
Origin of Enhanced Performance when Mn-Rich Rocksalt Cathodes transform to -DRX
Shashwat Anand, Tara P. Mishra, Peichen Zhong +4
Most Mn-rich cathodes are known to undergo phase transformation into structures resembling spinel-like ordering upon electrochemical cycling. Recently, the irreversible transformat…