Theoretical Study of Carbon Clusters in Silicon Carbide Nanowires

Figure 2

Optimized geometries of the carbon defects investigated in 3C–SiC bulk and in hydrogen-passivated [100] and [111] SiC NWs. (a) C_Si, (b) C–C, (c) C–C_Si, (d) C–Si, (e) (C–C)_i, (f) 2(C–C)_C, (g) ((C–C)_Si + (C–C)_C), and (h) 2(C–C)_Si.

(a)

(b)

(c)

(d)

(e)

(f)

(g)

(h)