A robust computational investigation on C₆₀ fullerene nanostructure as a novel sensor to detect SCNˉ
This study explored on the adsorption properties and electronic structure of SCNˉ via density functional theory analysis on the exterior surfaces of C₆₀ and CNTs using B3LYP functional and 6-31G** standard basis set. Then adsorption of SCNˉ through nitrogen atom on the C60 fullerene is electrostatic...
Main Authors: | , , , , , , , , , , |
---|---|
Format: | Article |
Language: | English English |
Published: |
King Saud University
2022
|
Subjects: | |
Online Access: | https://eprints.ums.edu.my/id/eprint/35096/1/ABSTRACT.pdf https://eprints.ums.edu.my/id/eprint/35096/2/FULL%20TEXT.pdf |