Fig. 4: Theoretical understanding of the 1D phase growth and the 1D–2D transformation.
From: Controllable dimensionality conversion between 1D and 2D CrCl3 magnetic nanostructures
a Side view of SW-6. b Top view of HF-6. The upper and lower surface Cl atoms are represented by yellow and green balls, respectively. c Plot of ∆H between the free-standing SW and HF at the Cl-rich (green square) and Cl-deficient (green circle) extremes as a function of nCr. The HFs with zig–zag (ZZ) edges (nCr = 6, 24, and 54) are more stable than the arm-chair (AC) ones (nCr = 12 and 36). d, e Plots of the charge variations for each individual Cl atom in SW-6 (d) and HF-6 (e) on the NbSe2 (orange) and graphene (blue) substrates. The indices of the Cl atoms are labeled in (a, b). The edge atoms are marked by gray shadows. f ∆H between SWs and HFs (at nCr = 6 and 12) with the substrates involved. The color-filled bars represent the estimated range of experimental μCl. The circle and square symbols represent the results at the Cl-deficient and Cl-rich limits, respectively. g, h Atomic structures of the multi-wire array (MW, w = 3) on NbSe2 and its corresponding nanoribbon (NR). i Phase diagram of ∆H as functions of w and μCl. The contour line of ∆H = 0 is plotted as the dashed line. The shadow region corresponds to the experimental observation of wT = 2–4.
