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The Journal of Physical Chemistry C
Article . 2024 . Peer-reviewed
License: CC BY
Data sources: Crossref
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DIGITAL.CSIC
Article . 2025 . Peer-reviewed
Data sources: DIGITAL.CSIC
https://dx.doi.org/10.17169/re...
Other literature type . 2024
License: CC BY
Data sources: Datacite
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Inducing Spin-Selective Transport in Nitrogen-Doped Zigzag Graphene Nanoribbons by Engineering Ground State Properties

Authors: Lawrence Conrad; Johanna Sophie Sturm; Isaac Alcón; Beate Paulus; Jean Christophe Tremblay;

Inducing Spin-Selective Transport in Nitrogen-Doped Zigzag Graphene Nanoribbons by Engineering Ground State Properties

Abstract

In the growing field of nanoelectronics, spin filtering devices are a topic of great interest. In recent years, there have been major advances in the synthesis of slim zigzag graphene nanoribbons (ZGNRs) that show inherent spin polarization along the edges, suggesting their potential as spintronic devices. In the following contribution, we show through theoretical investigations how a nitrogen doping pattern that is used to stabilize longer ZGNRs may turn a 2-ZGNR into an efficient spin filtering device through either simple physical or chemical transformations. Modeling of the electronic structure is performed using density functional theory, and we access global and local transport properties in the quasi-stationary limit from nonequilibrium Green’s function simulations. Our work shows that both negative gating and double protonation change the nature of the ground state of these systems, which enables efficient spin-selective transport.

Country
Spain
Keywords

Scattering, Nitrogen, Reaction mechanisms, 500 Naturwissenschaften und Mathematik::540 Chemie::540 Chemie und zugeordnete Wissenschaften, Quantum mechanics, Filtration

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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