ArticleChemistry of materials : a publication of the American Chemical Society2024
Fundamental Thermodynamic, Kinetic, and Mechanical Properties of Lithium and Its Alloys.
Article in Chemistry of materials : a publication of the American Chemical Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- Lithium diffusion-controlled Li-Al alloy negative electrode for all-solid-state battery.Nature communications · 2025Article
- The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics.ACS energy letters · 2025Article
- Role of Short-Range Order on Diffusion Coefficients in the Li-Mg Alloy.Chemistry of materials : a publication of the American Chemical Society · 2024Article
- Thermodynamic and Kinetic Properties of the Lithium-Silver System.Chemistry of materials : a publication of the American Chemical Society · 2024Article
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Authors and funding
3 authors.
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Abstract
Lithium alloying reactions are beneficial in promoting uniform plating and stripping of lithium metal in all-solid-state batteries. First-principles calculations are performed to predict thermodynamic, kinetic, and mechanical properties of lithium and several important Li-M alloys (M = Mg, Ag, Zn, Al, Ga, In, Sn, Sb, and Bi). While the Li-Mg binary system forms a solid solution, most other lithium-metal alloys prefer stoichiometric intermetallic compounds with common local motifs that enable fast Li diffusion. Lithium and Li-rich alloys exhibit an unusually flat energy landscape along paths that connect BCC to close-packed structures like FCC and HCP, with important implications for mechanical properties. Very low migration barriers for Li diffusion that rival those of superion conductors are predicted, both in pure Li and in Li-M intermetallics. However, vacancy concentration, which is crucial for substitutional diffusion, is predicted to be low in metallic Li and most Li-M intermetallics. Compounds such as B32 LiAl and LiGa as well as D0
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Registered trials
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