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Table 1 Calculated functionalization energies, exchange energies, and magnetic moments of the metal-functionalized g-C3N4 nanotubes

From: Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property

 

Ti

Cr

Mn

Fe

Co

Ni

W

E f (eV)

0.14

3.19

0.57

1.73

2.69

2.11

4.05

E exch (meV)/pair

95

-98

-7

4

-21

0

180

Moment (μB/M)

2.88

-

-

-

-

-

3.82

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