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Spin polarization in graphene nanoribbons functionalized with nitroxide. / Morozov, Vitaly; Tretyakov, Evgeny.

In: Journal of Molecular Modeling, Vol. 25, No. 3, 58, 09.02.2019.

Research output: Contribution to journal › Article › peer-review

Harvard

Morozov, V & Tretyakov, E 2019, 'Spin polarization in graphene nanoribbons functionalized with nitroxide', Journal of Molecular Modeling, vol. 25, no. 3, 58. https://doi.org/10.1007/s00894-019-3944-4

APA

Morozov, V., & Tretyakov, E. (2019). Spin polarization in graphene nanoribbons functionalized with nitroxide. Journal of Molecular Modeling, 25(3), [58]. https://doi.org/10.1007/s00894-019-3944-4

Vancouver

Morozov V, Tretyakov E. Spin polarization in graphene nanoribbons functionalized with nitroxide. Journal of Molecular Modeling. 2019 Feb 9;25(3):58. doi: 10.1007/s00894-019-3944-4

Author

Morozov, Vitaly ; Tretyakov, Evgeny. / Spin polarization in graphene nanoribbons functionalized with nitroxide. In: Journal of Molecular Modeling. 2019 ; Vol. 25, No. 3.

BibTeX

@article{1422552da60a4e21b3155320157de27f,
title = "Spin polarization in graphene nanoribbons functionalized with nitroxide",
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. ",
keywords = "Graphene, Graphene nanoribbons, Molecular magnetism, Nitronyl nitroxides, Quantum chemical calculations, THERMAL-STABILITY, TRANSPORT, EDGE",
author = "Vitaly Morozov and Evgeny Tretyakov",
year = "2019",
month = feb,
day = "9",
doi = "10.1007/s00894-019-3944-4",
language = "English",
volume = "25",
journal = "Journal of Molecular Modeling",
issn = "1610-2940",
publisher = "Springer-Verlag GmbH and Co. KG",
number = "3",

}

RIS

TY - JOUR

T1 - Spin polarization in graphene nanoribbons functionalized with nitroxide

AU - Morozov, Vitaly

AU - Tretyakov, Evgeny

PY - 2019/2/9

Y1 - 2019/2/9

N2 - 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.

AB - 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.

KW - Graphene

KW - Graphene nanoribbons

KW - Molecular magnetism

KW - Nitronyl nitroxides

KW - Quantum chemical calculations

KW - THERMAL-STABILITY

KW - TRANSPORT

KW - EDGE

UR - http://www.scopus.com/inward/record.url?scp=85061270701&partnerID=8YFLogxK

U2 - 10.1007/s00894-019-3944-4

DO - 10.1007/s00894-019-3944-4

M3 - Article

C2 - 30737560

AN - SCOPUS:85061270701

VL - 25

JO - Journal of Molecular Modeling

JF - Journal of Molecular Modeling

SN - 1610-2940

IS - 3

M1 - 58

ER -

ID: 18504508