fig1

Theoretical investigation on the self-organized MXene heterostructures: interface, sliding and Li/Na ion storage application

Figure 1. Structural schematics of MXene and MXene heterostructures. (A) Top view of FCC adsorption style in Nb2CF2; (B) Side view of FCC adsorption style in Nb2CTx; (C) Schematic illustration of ZZ (the orange arrow) and AM (the red arrow) sling directions; (D) Initial sliding configuration of Ti3C2Tx/Nb2CTx heterostructure showing metal atoms, the metal atoms exactly locate on three distinctive high-symmetry sites within ab plane denoted as A, B and C; (E) Top and side view of high-symmetry sites A, B and C in initial sliding configuration of Ti3C2F2/Nb2CF2 heterostructure, where every atom locates on one of three high-symmetry sites without exception. FCC: Face-centered cubic; ZZ: zigzag; AM: armchair.

Microstructures
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