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Journal of Nanomaterials
/
2011
/
Article
/
Tab 2
/
Research Article
Atomic-Level Investigation of
and
Adsorption on
-SiC (111) Surface for CVD Diamond Growth from DFT Calculations
Table 2
The nomenclature of the structures of C
2
H
x
adsorption.
Name used
Structure
Si-terminated surface
C-terminated surface
X
d
–C
2
H(I)
Si
d
–C–CH
C
d
–C–CH
X
d
–C
2
H(II)
Si
d
–CH–C
C
d
–CH–C
X
d
–C
2
H
2
(I)
Si
d
–C–CH
2
C
d
–C–CH
2
X
d
–C
2
H
2
(II)
Si
d
–CH
2
–C
C
d
–CH
2
–C
X
d
–C
2
H
2
(III)
Si
d
–CH–CH
C
d
–CH–CH
X
d
–C
2
H
2
(IV)
Si
d
–C=CH
2
C
d
–C=CH
2
X
d
–C
2
H
2
(V)
Si
d
–CH=CH
C
d
–CH=CH
X
d
–C
2
H
3
(I)
Si
d
–C–CH
3
C
d
–C–CH
3
X
d
–C
2
H
3
(II)
Si
d
–CH–CH
2
C
d
–CH–CH
2
X
d
–C
2
H
3
(III)
Si
d
–CH
2
–CH
C
d
–CH
3
–CH
X
d
–C
2
H
3
(IV)
Si
d
–CH=CH
2
C
d
–CH=CH
2
X
d
–C
2
H
4
(I)
Si
d
–CH–CH
3
C
d
–CH–CH
3
X
d
–C
2
H
4
(II)
Si
d
–CH
2
–CH
2
C
d
–CH
2
–CH
2
X
d
–C
2
H
5
Si
d
–CH
2
–CH
3
C
d
–CH
2
–CH
3