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...

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Main Authors: Saad M. Alshahrani, Sameer Alshehri, Amal M. Alsubaiyel, Rami M. Alzhrani, Ahmed D. Alatawi, Majed Ahmed Algarni, Maram H. Abduljabbar, Andrew Ng Kay Lup, Mohd Sani Sarjadi, Md. Lutfor Rahman, Mohammed A.S. Abourehab
Format: Article
Language:English
English
Published: King Saud University 2022
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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
https://eprints.ums.edu.my/id/eprint/35096/
https://reader.elsevier.com/reader/sd/pii/S1878535222006529?token=F3F297AF5A7D998AEC4F486CB0D755ACB41EA0F8B66AD42DC0CF69EC74618CB27DCBF26772CF6F21DD22ECE7D2714683&originRegion=eu-west-1&originCreation=20230209041003
https://doi.org/10.1016/j.arabjc.2022.104336
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Institution: Universiti Malaysia Sabah
Language: English
English