The analytical modeling and simulation of circular twisting effect in gamma graphyne sensor

Ahmadi, Mohammad Taghi; Neshani, Sonay; Ahmadi, Mahan; Rahmani, Meisam

doi:10.1088/1402-4896/ac1548

Cited by 6 publications

(7 citation statements)

References 30 publications

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“…promising potential of nanomaterials, and could provide valuable data for further theoretical modeling and experimental works on nano-scale systems. [32][33][34][35][36][37][38][39][40][41][42]…”

Section: Resultsmentioning

confidence: 99%

Investigation of Boron Nitro Silicone Band Modulation Using the Tight-Binding Method

Ahani

Ahmadi

Abazari

et al. 2022

ECS J. Solid State Sci. Technol.

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Boron nitro silicone (Si2BN), as a 2D material, is widely used due to its outstanding electrical properties. The electrical parameters of Si2BN must be defined and engineered precisely to improve device performance. This paper investigates the band structure and effective parameters of Si2BN using the tight binding approach. The unit cell including 4 atoms is considered for monolayer structure and the Schrodinger equation is calculated to obtain the energy levels. The effect of hopping energy on Si2BN band structure is also studied considering the conduction and valence bands. It is demonstrated that the distance between conduction and valance bands can be modified using the effect of lattice constant variation. The obtained results show that the nature of matter changes with fluctuating hopping energy of Si2BN. Alteration of the material properties can be explained in the form of applied perpendicular electric field to the Si2BN surface or strain and stress effects. The overlap energy variation in the form of band gap modulation is also explored and it is concluded that the band gap is decreased by strengthening of Silicon–Boron interaction. This research emphasized that obtained results are now suitable for being employed in different applications of nanoelectronics.

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Section: Resultsmentioning

confidence: 99%

Investigation of Boron Nitro Silicone Band Modulation Using the Tight-Binding Method

Ahani

Ahmadi

Abazari

et al. 2022

ECS J. Solid State Sci. Technol.

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“…This research demonstrates the hopeful potential of nanomaterials in applications of nanoscale systems, and could offer helpful information for further theoretical modeling and simulation on nanomaterial-based devices such as nanotransistors and nanosensors. [36][37][38][39][40][41][42][43][44][45][46][47][48][49][50]…”

Section: H H H H H H H H H Hmentioning

confidence: 99%

Investigation of Bond Energy Effect on the Electronic Band Structure of Penta-Graphene using Tight-Binding Method

Ahmadi¹,

Balkanloo²,

Rahmani³

et al. 2022

ECS J. Solid State Sci. Technol.

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Graphene is a semiconductor with zero band-gap, meaning that the energy difference between the valence band and conduction band is zero. This characteristic is not a good feature for making electronic devices such as transistors and sensors. Therefore, by changing the structure of graphene, a new sample of graphene as “penta graphene” with a non-zero band-gap can be obtained. Penta graphene as a new and stable carbon allotrope is stronger than graphene. It is a nonconductor material in which the transfer of electrons from the valence band to the conduction band is very low. In this research, an attempt has been made by solving the Schrödinger equation for two bond energies t and tp and finally by equating these two energies in the equation, two bands of valence and conduction in penta graphene meet at two points and there is an overlap in this case. Considering the real part of the roots and regardless of their imaginary part, the diagrams of energy E as a function of wave vector k can be obtained for different amounts of bond energy. The results demonstrate that by increasing the value of t, the band gap decreases and there is an overlap between the conduction and valance bands.

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“…Blew there are the scheme forms of three main Graphyne structures.1 This variety of single and triple bonding is the advantage of Graphyne to Graphene, related to the Dirac cones over these bonds causing one-way massless electron conduction in a defined direction. The ϒ-Graphyne is the most stable allotrope and also the simplest structure which has an adaptable form with different unit cells shown in figure 2 [15,16].…”

Section: Introductionmentioning

confidence: 99%

The thermoelectric power investigation of the ϒ2-graphyne molecule device

Neshani,

Golzan,

Ahmadi

2023

Phys. Scr.

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Graphyne, is an interesting carbon nanostructure, with unique properties such as high carrier mobility, thermal stability, and electronic band characteristics shaped by sp and sp2 hybridizations. Due to its intrinsic porous nature, graphyne exhibits higher phonon scattering, and lower thermal conductance compared to graphene, making it an excellent nominee to be investigated as an organic nanoscale thermoelectric material. In this study, we delve into the thermoelectric power properties of the ϒ2-Graphyne structures using the modeling and simulated approaches. Our modeling studies focus on unit cell base vector variation at temperatures higher and lower than the Fermi temperature, additionally, the hopping energy variation is calculated in the same temperatures. We have employed the semi-classical Boltzmann transport equation to analyze these effects, considering the relaxation time factor, as a way of exploring the phonon scatterings, and the changing system behavior. It is concluded structural variation leads to a change in the scattering mechanisms. ATK Quantum Wise simulations on three groups of ϒ2-Graphyne structures are carried out. In the first two groups, the influence of the electrode length and the asymmetry are investigated, but for the last group, only the main region variation is considered. Generally, the number of the unit cells in the main region is changed from one group to the other. The density of states, the transmission spectrum, and electrical conductance values are calculated moreover, the effect of the temperature on thermoelectric power for all groups of devices is simulated. The figure of merit (Z) values at room temperature for all the structures is determined and the highest value of ZT is for the device with one unit cell and asymmetric electrodes are reported. 

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The analytical modeling and simulation of circular twisting effect in gamma graphyne sensor

Cited by 6 publications

References 30 publications

Investigation of Boron Nitro Silicone Band Modulation Using the Tight-Binding Method

Investigation of Boron Nitro Silicone Band Modulation Using the Tight-Binding Method

Investigation of Bond Energy Effect on the Electronic Band Structure of Penta-Graphene using Tight-Binding Method

The thermoelectric power investigation of the ϒ2-graphyne molecule device

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