fig2
Figure 2. (A) Top and side views of the optimized structure of the CuB monolayer. The black dashed lines denote a unit cell; a and b represent the lattice vectors; and orange-filled hexagons are guidelines for the B2@Cu6 subunit. (B) The deformation charge density of CuB monolayer. Cyan and yellow represent electron-deficient and -rich regions, respectively. The isosurface value is 0.01 e/au.
