Modelling of Nickel Atoms Interacting with Single-Walled Nanotubes

Table 2

Main results of the interaction of a Ni atom entering nanotubes.

Tube Type	Tube Radius (Å)		Interaction (eV)
	CNT	BNNT	CNT/Ni	BNNT/Ni
(3,3)	2.0344	2.072	-0.554	-1.145
(4,4)	2.713	2.761	-0.246	-0.518
(5,5)	3.391	3.451	-0.102	-0.214
(6,6)	4.069	4.142	-0.049	-0.103
(7,0)	2.741	2.790	-0.237	-0.497
(8,0)	3.132	3.188	-0.139	-0.293
(9,0)	3.523	3.587	-0.087	-0.183
(10,0)	3.915	3.985	-0.057	-0.120
(11,0)	4.307	4.384	-0.039	-0.082