Atomic-Level Investigation of CH_𝑥 and C₂H_𝑥 Adsorption on 𝛽-SiC (111) Surface for CVD Diamond Growth from DFT Calculations

Table 1

The surface reactions on the β-SiC (111) surface.

No.	Si-terminated surface reactions	C-terminated surface reactions
1	Sid(s)+H(g)↔Sid–H(s)	Cd(s)+H(g)↔Cd–H(s)
2	Sid(s)+C(g)↔Sid–C(s)	Cd(s)+C(g)↔Cd–C(s)
3	Sid(s)+CH(g)↔Sid–CH(s)	Cd(s)+CH(g)↔Cd–CH(s)
4	Sid(s)+CH2(g)↔Sid–CH2(s)	Cd(s)+CH2(g)↔Cd–CH2(s)
5	Sid(s)+CH3(g)↔Sid–CH3(s)	Cd(s)+CH3(g)↔Cd–CH3(s)
6	Sid(s)+C2(g)↔Sid–C2(s)	Cd(s)+C2(g)↔Cd–C2(s)
7	Sid(s)+C2H(g)↔Sid–C2H(s)	Cd(s)+C2H(g)↔Cd–C2H(s)
8	Sid(s)+C2H2(g)↔Sid–C2H2(s)	Cd(s)+C2H2(g)↔Cd–C2H2(s)
9	Sid(s)+C2H3(g)↔Sid–C2H3(s)	Cd(s)+C2H3(g)↔Cd–C2H3(s)
10	Sid(s)+C2H4(g)↔Sid–C2H4(s)	Cd(s)+C2H4(g)↔Cd–C2H4(s)
11	Sid(s)+C2H5(g)↔Sid–C2H5(s)	Cd(s)+C2H5(g)↔Cd–C2H5(s)