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Adsorption Science & Technology
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2022
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Article
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Tab 1
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Review Article
Adsorption Properties of NF
3
and N
2
O on Al- and Ga-Doped Graphene Surface: A Density Functional Theory Study
Table 1
Formation energy of Al- and Ga-doped Gra at T, B, H, and R sites.
Configuration
Top(T)
Bridge(B)
Heart(H)
Replacement(R)
(eV)
-1.058
-0.835
-1.093
-1.253
(eV)
-1.236
-1.034
-1.025
-1.076