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. 2021 May 21;7(21):eabg3626. doi: 10.1126/sciadv.abg3626

Fig. 6. Modeling of the Li deposition on Ag@CMFs.

Fig. 6

(A) Modeling of Ag, Cu, graphene, and nitrogen-doped carbons. (B) Summary of the calculated BE of Li atom with Cu, Ag, graphene, and nitrogen-doped carbons. (C) Different structures involving atom segregation and homogeneous dispersion configurations and the corresponding BEs of (i to iii) Cu19Li19 and (iv to vi) Ag19Li19 clusters. The higher BE represents the more stable configuration. (i) Atom segregation with Cu core, (ii) homogeneous dispersion, (iii) complete atom segregation, (iv) homogeneous dispersion, (v) atom segregation with Ag core, and (vi) complete atom segregation. (D) Schematic illustration of the Li deposition process on Ag@CMFs.