G–C4N3–graphene-g-C4N3: A useful spin thermoelectric material

Bhowmick, Rinki; Koley, S. N.; Chattopadhyaya, Mausumi; Sen, Sabyasachi

doi:10.1016/j.jpcs.2021.110186

Cited by 4 publications

(5 citation statements)

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“…24 Chattopadhyaya et al studied the spin-polarized Seebeck coefficient attributed to the intrinsic ferromagnetism of g-C 4 N 3 and spin injection from the ferromagnetic electrode to insulating graphene. 25 In addition, the stability of 2D nanomaterials can be enhanced by constructing heterostructures to produce ideal functional low-dimensional devices that are more suitable for practical applications. 26 As one of the most studied transition metal dichalcogenide (TMD) compounds, 27,28 MoS 2 has a clear band gap and stability in a variety of application environments, indicating a great prospect in basic research.…”

mentioning

confidence: 99%

“…Bafekry et al investigated the effect of various embedded atom impurities on tuning electronic and magnetic properties of g-C 4 N 3 nanosheets using first-principles calculations . Chattopadhyaya et al studied the spin-polarized Seebeck coefficient attributed to the intrinsic ferromagnetism of g-C 4 N 3 and spin injection from the ferromagnetic electrode to insulating graphene . In addition, the stability of 2D nanomaterials can be enhanced by constructing heterostructures to produce ideal functional low-dimensional devices that are more suitable for practical applications .…”

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confidence: 99%

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Multifunctional 2D g-C₄N₃/MoS₂ vdW Heterostructure-Based Nanodevices: Spin Filtering and Gas Sensing Properties

et al. 2022

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Two-dimensional (2D) magnetic materials are the key to the development of the new generation in spintronics technology and engineering multifunctional devices. Herein, the electronic, spin-resolved transmission, and gas sensing properties of the 2D g-C4N3/MoS2 van der Waals (vdW) heterostructure have been investigated by using density functional theory with non-equilibrium Green’s function method. First, the g-C4N3/MoS2 vdW heterostructure demonstrates ferromagnetic half-metallicity and superior adsorption capacity for gas molecules. The spin-dependent electronic transport of the g-C4N3/MoS2-based nanodevice is obviously regulated by parallel or anti-parallel spin configuration in electrodes, leading to perfect single-spin conduction behavior with a nearly 100% spin filtering efficiency, a negative differential resistance effect, and other interesting electrical transport phenomena. Moreover, g-C4N3/MoS2 exhibits directional dependency and strong transport anisotropic behavior under bias windows, indicating that the electric current propagates more easily through the vertical direction than the horizontal direction. The physical mechanisms are revealed and analyzed by presenting the bias-dependent transmission spectra in combination with the projected local device density of states. Finally, the g-C4N3/MoS2-based gas sensor is more sensitive to CO, NO, NO2, and NH3 molecules with the chemisorption type. The strong chemical adsorption leads to the formation of electrons on the local scattering center and ultimately affects the transport properties, resulting in the maximum gas sensitivity reaching 6.45 for NO at the bias of 0.8 V. This work not only reveals that the g-C4N3/MoS2 vdW heterostructure with high anisotropy, perfect spin filtering, and outstanding gas sensitivity is a promising 2D material but also provides an insight into the further application in futuristic electronic nanodevices.

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confidence: 99%

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confidence: 99%

Multifunctional 2D g-C₄N₃/MoS₂ vdW Heterostructure-Based Nanodevices: Spin Filtering and Gas Sensing Properties

et al. 2022

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“…The spin-dependent ZT is calculated as spin component (Z S T) and charge component (Z C T) by aligning the magnetism of electrodes in two different conditions first in FM and then in AFM configurations. It is also to be noted that in a recent work Z S T = 100 has been predicted in g-C 4 N 3graphene-g-C 4 N 3 device for optimum efficiency [59]. To the best of our knowledge spin-dependent thermoelectric properties of B2-7AGNR has not been performed till date.…”

Section: Introductionmentioning

confidence: 90%

“…Spindependent ZT and magnetoresistance of the device are investigated based on first principle calculations. g-C 4 N 3 has a FM ground state and it is a half-metal in nature [57], often used as FM electrode for spin-thermoelectric devices in theoretical studies [58,59]. The spin-dependent ZT is calculated as spin component (Z S T) and charge component (Z C T) by aligning the magnetism of electrodes in two different conditions first in FM and then in AFM configurations.…”

Section: Introductionmentioning

confidence: 99%

Spin-thermoelectric properties and giant tunneling magnetoresistance of boron-substituted graphene nanoribbon: a first principle study

Sarkar¹,

Misra²

2022

J. Phys.: Condens. Matter

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In this study we have designed a spin caloritronic device based on boron doped armchair graphene nanoribbons (B2-7AGNR). In presence of ferromagnetic graphitic-carbon nitride (g-C4N3) electrodes the spin-thermoelectric features of the device, both for ferromagnetic and aniferromagnetic states, are studied using first principle calculations. The spin polarized transmission peaks and the presence of density of states near the Fermi level indicate that the system have large spin-thermoelectric figure of merit. In addition, it is observed that the system has a large tunneling magnetoresistance due to the difference in total current between ferromagnetic and antiferromagnetic configurations. Further studies reveal that the spin component of the Seebeck coefficient of the device is much higher than the other zigzag and armchair nanoribbons. When the spin magnetic moments of the electrodes are aligned in parallel manner, spin-thermoelectric figure of merit of the system becomes significantly high. It has also been found that on decreasing temperature the efficiency of the device increases. As a whole, the numerical results show that g-C4N3-B2-7AGNR-g-C4N3 system in ferromagnetic configuration is an efficient low temperature thermoelectric device.

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“…However, in this context graphitic carbon nitride (g-C4N3) is found to be an ideal material to study as it possesses both the characters of metal-free magnetism and half metallicity in spite of being free from any 3d transitional metal elements [12,13]. It is well known that generally 2p electronic systems exhibits non-magnetic character in bulk systems but in case of ultrathin two dimensional structure like g-C4N3 the 2p electrons behave in a very peculiar way to manifest magnetic behaviour associated with half metallicity; which certainly makes it useful as a probable spintronic material [14][15][16][17][18][19][20][21]. In this context, it is worth noting that electronic structure property of g-C4N3 could be suitably tuned in presence of metallic dopants like Li atom.…”

Section: Introductionmentioning

confidence: 99%

Role of dopants in tuning spintronic features of lithium doped g-C₄N₃@Li_{n =1 to 4}

Mitra

Biswas

Dey

et al. 2022

J. Phys.: Conf. Ser.

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We report herein, charge transfer assisted tuning of electronic and spintronic feature of g-C4N3@Lin=1-4 systems. Complete removal of spintronic feature is observed at the doping concentration 14.28%. At lower doping concentration, half metallic feature is observed with clear manifestation of negative differential resistance, which is predominant at n=3. We also noticed significant modifications in current-voltage characteristics as the number of dopants flips from odd to even numbers. Observed feature is mainly attributed to increased charge transfer from Li atom to the g-C4N3 backbone at higher doping concentration and concomitant enhancement in electron-electron interactions. These observations are in corroboration with molecular orbital picture obtained at various doping concentrations.

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G–C4N3–graphene-g-C4N3: A useful spin thermoelectric material

Cited by 4 publications

References 34 publications

Multifunctional 2D g-C₄N₃/MoS₂ vdW Heterostructure-Based Nanodevices: Spin Filtering and Gas Sensing Properties

Multifunctional 2D g-C₄N₃/MoS₂ vdW Heterostructure-Based Nanodevices: Spin Filtering and Gas Sensing Properties

Spin-thermoelectric properties and giant tunneling magnetoresistance of boron-substituted graphene nanoribbon: a first principle study

Role of dopants in tuning spintronic features of lithium doped g-C₄N₃@Li_{n =1 to 4}

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G–C4N3–graphene-g-C4N3: A useful spin thermoelectric material

Cited by 4 publications

References 34 publications

Multifunctional 2D g-C4N3/MoS2 vdW Heterostructure-Based Nanodevices: Spin Filtering and Gas Sensing Properties

Multifunctional 2D g-C4N3/MoS2 vdW Heterostructure-Based Nanodevices: Spin Filtering and Gas Sensing Properties

Spin-thermoelectric properties and giant tunneling magnetoresistance of boron-substituted graphene nanoribbon: a first principle study

Role of dopants in tuning spintronic features of lithium doped g-C4N3@Lin =1 to 4

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Multifunctional 2D g-C₄N₃/MoS₂ vdW Heterostructure-Based Nanodevices: Spin Filtering and Gas Sensing Properties

Multifunctional 2D g-C₄N₃/MoS₂ vdW Heterostructure-Based Nanodevices: Spin Filtering and Gas Sensing Properties

Role of dopants in tuning spintronic features of lithium doped g-C₄N₃@Li_{n =1 to 4}