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Spin Polarization in Graphene Nanoribbons Functionalized With Nitroxide

Spin Polarization in Graphene Nanoribbons Functionalized With Nitroxide

Vitaly Morozov, Evgeny Tretyakov

J Mol Model. 2019 Feb 9;25(3):58.

PMID: 30737560

Abstract:

Fine-tuning of magnetic states via an understanding of spin injection on the edge of graphene nanoribbons should allow for greater flexibility of the design of graphene-based spintronics. On the basis of calculations, we predict that coupling constants of the exchange interaction in the series of nitroxide-functionalized ribbon compounds are antiferromagnetic across the ribbons with values 0.2-0.4 cm-1 and ferromagnetic along the ribbon with absolute values from 0.05 to 0.07 cm-1. Such interacting nitroxide groups induce spin polarization of the edge states of stable graphene nanoribbons. Graphical abstract Exchange coupling constants inducing spin polarization in graphene nanoribbons functionalized with nitroxides.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
LS71743	Graphene nanoribbons			Price

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