Half-metallicity and high spin-filtering effect of magnetic atoms embedded zigzag 6, 6, 12-graphyne nanoribbon

Zhao, Chenchen; Tan, Shi-Hua; Zhou, Yanhong; Wang, Rongji; Wang, Xinjun; Chen, Ke‐Qiu

doi:10.1016/j.carbon.2016.11.022

Cited by 24 publications

(9 citation statements)

References 45 publications

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“…Zhai et al also showed that B/N doping may induce a large magnetoresistance behavior in the asymmetric ZαGYNRs . Besides ZαGYNRs, spin-filtering and half-metallic properties can be achieved in graphyne NRs or 6,6,12-graphyne NRs through transition-metal-doping − or control of edge structures . Edge states in zigzag graphdiyne nanoribbons are expected to induce magnetic-controlled switching effect .…”

Section: Electronic Transport Propertiesmentioning

confidence: 99%

Graphyne and Its Family: Recent Theoretical Advances

Kang

Wei

2018

ACS Appl. Mater. Interfaces

172

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Graphyne and its family are new carbon allotropes in 2D form with both sp and sp hybridization. Recently, the graphyne with different structures have attracted great attentions from both experimental and theoretical communities, especially because the first successful synthesis of graphdiyne, which is a typical member of the graphyne family. In this review, recent theoretical progresses in the research of the graphyne family are summarized. More specifically, we systematically introduce the structural, mechanical, band, electronic transport, and thermal properties of graphyne and its family, as well as their possible applications, such as gas separation, water desalination and purification, anode material for ion battery, H storage, and catalysis application. Several related theoretical methods are also reviewed. The coexistence of sp and sp hybridization and the unique atom arrangement of the graphyne family members bring many novel properties and make them promising materials for many potential applications.

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Section: Electronic Transport Propertiesmentioning

confidence: 99%

Graphyne and Its Family: Recent Theoretical Advances

Kang

Wei

2018

ACS Appl. Mater. Interfaces

172

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“…7e and f). 92 Among them, the doped Co atom structure has a relatively obvious spin filtering effect in the low bias range. Based on this, another group of researchers studied the doping of magnetic atoms (Fe, Co, Ni) with zigzag-shaped boundaries of the N-GYNRs containing nitrogen, as shown in Fig.…”

Section: Magnetic Propertiesmentioning

confidence: 99%

“…92 (f) Spin polarization T(E) curve of the Co doped 4-6,6,12-ZGYNR system at 0.15 V bias. 92 (g) Spintronic density of m-ZGYNR (M = Fe, Co, Ni). The spin up (spin down) magnetic moment of the electron is represented by the yellow (light blue) region.…”

Section: Thermodynamic Properties and Thermoelectric Propertiesmentioning

confidence: 99%

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Graphyne and graphdiyne nanoribbons: from their structures and properties to potential applications

Liu,

Wang,

et al. 2024

Phys. Chem. Chem. Phys.

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“…[23][24][25][26][27][28][29] Specifically, it is reported that in GY the inherent carrier mobilities can reach 5.41×10 5 cm 2 /Vs for electrons and 4.29×10 5 cm 2 /Vs for holes at room temperature, larger than in graphene. [30][31][32][33][34][35] Further research has suggested that chemically doped GY broadens the function applications in electricity and optics. Sarkar et al 36 predicted that boron-or nitrogen-doped GY has a higher conductivity than pristine GY by comparing the static dielectric tensor.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Studies on Transport and Photoresponse Properties of a Wheel-and-Axle Architecture Formed by Nitrogen-Doped Graphynes and a Vm(Bz)n Nanowire

Gao

Zhang

et al. 2021

J. Electron. Mater.

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Theoretical studies are carried out on a "wheel-and-axle" architecture, (NDGY) k -V m (Bz) n , by using density functional theory, nonequilibrium Green's function (NEGF), and Keldysh nonequilibrium Green's function (KNEGF) methods. Here, (NDGY) k and V m (Bz) n denote the wheels formed by nitrogen-doped graphynes and the axle formed by a one-dimensional (1D) vanadium benzene nanowire, respectively. The electronic structure, transport property, and linear photoresponse of (NDGY) k -V m (Bz) n are investigated. Within the range of 0.0 ~ 1.0 V except at 0.5 V and 0.6 V bias voltages, (NDGY) k -V m (Bz) n shows a spin polarized transport character as the minority spin state serving as the primary transport path. The spin filter efficiency (SFE) of (NDGY) k -V m (Bz) n can reach 100%, suggesting a good candidate for spin filter. Interestingly, a nonpolarized transport character is found at 0.5 V and 0.6 V bias voltages owing to the opening of the majority spin channel and leading to a negative differential resistance behavior entailing it for making electronic oscillators, electronic switches, and spin switches. When applied light irradiation, the minority spin state gives rise to stronger photoresponse than the majority spin state. Moreover, the magnitude of photoresponse can be tuned by the photon energy. All of these fascinating properties of (NDGY) k -V m (Bz) n give a clue toward exploring new wheel-and-axle architectures with potential applications in electronic and optoelectronic devices.

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Half-metallicity and high spin-filtering effect of magnetic atoms embedded zigzag 6, 6, 12-graphyne nanoribbon

Cited by 24 publications

References 45 publications

Graphyne and Its Family: Recent Theoretical Advances

Graphyne and Its Family: Recent Theoretical Advances

Graphyne and graphdiyne nanoribbons: from their structures and properties to potential applications

Theoretical Studies on Transport and Photoresponse Properties of a Wheel-and-Axle Architecture Formed by Nitrogen-Doped Graphynes and a Vm(Bz)n Nanowire

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