Table 3 Dipole moment values in each of the instruments designed in this work.

From: DFT investigation of boron- and zinc-doped C24 fullerenes as efficient nanosensors for molly detection

Structure

Conformer

Dipole moment

C24

–

0.0

BC23

–

0.24

ZnC23

–

6.09

C24@Molly

1

1.30

2

15.68

BC23@ Molly

3

7.52

4

12.31

ZnC23@ Molly

5

6.26

6

11.17

Back to article page