Molecular modeling analyses for graphene functionalized with Fe3O4 and NiO

Graphene has attracted great concern in recent years as one of the potential 2D materials in various applications. This work is devoted for assessing the feasibility of functionalizing 2D graphene sheets with ferromagnetic and antiferromagnetic metal oxides namely magnetite (Fe3O4) and nickel oxide...

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Bibliographic Details
Main Authors: Amal H. Al-Bagawi, Ahmed M. Bayoumy, Medhat A. Ibrahim
Format: Article
Language:English
Published: Elsevier 2020-07-01
Series:Heliyon
Subjects:
DFT
PM6
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844020313001