Ab Initio Density Functional Theory Investigation of the Interaction between Carbon Nanotubes and Water Molecules during Water Desalination Process

Table 1

The diameter, 𝜆, and 𝐴_eff for different CNTs.

CNT	𝑑 (Å)	𝜆 (Å)	𝑟eff (Å)	𝐴eff (Å)
(5, 5)	6.8	2.8	0.6	1.1
(6, 6)	8.1	2.3	1.8	9.8
(7, 7)	9.5	2.3	2.5	18.8
(8, 0)	6.3	2.7	0.4	0.6
(10, 0)	7.9	2.9	1.0	3.2
(12, 0)	9.4	2.4	2.3	16.6