Quantum Chemical Approach to the Adsorption of Chlorpyrifos and Fenitrothion on the Carbon-Doped Boron Nitride Nanotube Decorated with Tetrapeptide

In the present study, four materials based on boron nitride nanotubes—namely pristine BNNT, C-doped BNNT, tetrapeptide/BNNT, and tetrapeptide/C-doped BNNT—were examined to evaluate adsorption of the organophosphorus pesticides chlorpyrifos and fenitrothion. Through a quantum chemical approach to the...

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Bibliographic Details

Published in:	Crystals
Main Authors:	Chien-Lin Lee, Chia Ming Chang
Format:	Article
Language:	English
Published:	MDPI AG 2022-09-01
Subjects:	organophosphorus pesticide boron nitride nanotube tetrapeptide carbon doping quantum chemical method
Online Access:	https://www.mdpi.com/2073-4352/12/9/1285