fig7

Machine learning descriptors for crystal materials: applications in Ni-rich layered cathode and lithium anode materials for high-energy-density lithium batteries

Figure 7. Crystal descriptors applied in predicting properties of Ni-rich cathode materials. (A) Explicit crystal descriptor-assisted interpretable ML on Li/Ni exchange in Ni-rich cathode materials, quoted with permission[60], Copyright 2024, American Chemical Society; (B) Explicit crystal descriptor-assisted screening on doping elements to obtain better voltage and volume performance, quoted with permission[56], Copyright 2023, Elsevier; (C) Graph-based crystal descriptor and combined ML to accelerate stable NMC811 structure screening and stability analysis (part of ongoing research from our group and currently unpublished, reprinted with permission from the authors). ML: Machine learning; NMC811: LiNi0.8Co0.1Mn0.1O2.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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