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Adsorption Science & Technology
/
2022
/
Article
/
Tab 4
/
Review Article
Adsorption Properties of NF
3
and N
2
O on Al- and Ga-Doped Graphene Surface: A Density Functional Theory Study
Table 4
The E
ad
, Q
t
, and structural parameters of the NF
3
and N
2
O adsorbed on Ga-Graphene.
Configuration
(eV)
Q
t
(e)
d
ads
(Å)
X1
-1.356
0.287
1.801
X2
-1.280
0.227
2.285