Structural Stability of Functionalized Silicene Nanoribbons with Normal, Reconstructed, and Hybrid Edges

Table 2

Edge formation energy (eV) of hydrogenated and fluorinated SiNRs along .

Edge type	Edge atom	(eV/Å)
z1	Bare	+0.38
	H	+0.097
	F	−0.87
z2	Bare	+0.38
	H	−0.01
	F	−2.06
	Bare	+0.38
	H	+0.05
	F	−1.46
z21	Bare	+0.37
	H	+0.001
	F	−1.51
z211	Bare	+0.35
	H	+0.024
	F	−1.31
z221	Bare	+0.38
	H	−0.002
	F	−1.70
k2	Bare	+0.38
	H	+0.25
	F	−1.85
k3	Bare	+0.38
	H	−0.72
	F	−3.24
k33 + z2	Bare	+0.33
	H	−0.10
	F	−2.90
(5-7)22	Bare	+0.35
	H	−0.02
	F	−2.07
rk22	Bare	+0.33
	H	−0.07
	F	−2.10
rk22 + z2	Bare	+0.33
	H	−0.08
	F	−2.12