Designing shape-memory-like microstructures in intercalation materials
نویسندگان
چکیده
During the reversible insertion of ions, lattices in intercalation materials undergo structural transformations. These lattice transformations generate misfit strains and volume changes that, turn, contribute to decay limit their cycling. In this paper, we draw on insights from shape-memory alloys, another class phase transformation materials, that also large but do so with negligible macroscopic internal stresses. We develop a theoretical framework predict compounds identify crystallographic design rules necessary for forming shape-memory-like microstructures materials. use our approach systematically screen open-source databases comprising n>5000 pairs compounds. candidate compounds, such as LixMn2O4 (Spinel), LixTi2(PO4)3 (NASICON), approximately satisfy can be precisely doped form microstructures. Throughout, compare analytical results experimental measurements find direct correlation between transformations, microstructures, increased capacity retention these results, more generally, show designing could novel route discovering not continuous usage.
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ژورنال
عنوان ژورنال: Acta Materialia
سال: 2023
ISSN: ['1873-2453', '1359-6454']
DOI: https://doi.org/10.1016/j.actamat.2023.118879