Superior Selectivity and Sensitivity of C3N Sensor in Probing Toxic Gases NO2 and SO2

Cui, Heping; Zheng, Kai; Zhang, Yingying

doi:10.1109/led.2017.2787788

Cited by 123 publications

(40 citation statements)

References 25 publications

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“…It was shown that C 3 N can be an excellent sensor for probing toxic gases like NO 2 and SO 2 [28]. Optical and mechanical properties of C 3 N has been investigated in Ref.…”

Section: Mahmood Et Al Has Recently Synthesized a New 2d Planner Matmentioning

confidence: 99%

Electrical and mechanical properties of a fully hydrogenated two-dimensional polyaniline sheet

Tagani

2018

Computational Materials Science

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Two-dimensional (2D) polyaniline sheet has been recently synthesized and showed that it is a semiconductor with indirect band gap. In this research, we examine electrical and mechanical properties of a fully hydrogenated 2D polyaniline sheet C 3 NH using density functional theory. Results show that the C 3 NH sheet is an insulator with a band gap more than 5eV . The sheet is quasi planner and dynamically stable confirmed by phonon band structure.Young modulus of the sheet is 275N/m. Ab-initio molecular dynamics simulations show that the C 3 NH sheet can be stable at 1000K indicating a high melting point. Tensile strain reduces the band gap of the sheet and electron effective mass. In return, hole effective mass is strongly dependent on the strain direction so that strain along zigzag (armchair) increases (reduces) hole effective mass. our findings show that C 3 NH sheet is a promising candidate for electronic and optoelectronic applications and strain engineering can be used to tune its properties.

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“…It was shown that C 3 N can be an excellent sensor for probing toxic gases like NO 2 and SO 2 [28]. Optical and mechanical properties of C 3 N has been investigated in Ref.…”

Section: Mahmood Et Al Has Recently Synthesized a New 2d Planner Matmentioning

confidence: 99%

Electrical and mechanical properties of a fully hydrogenated two-dimensional polyaniline sheet

Tagani

2018

Computational Materials Science

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“…Ultrathin two-dimensional (2D) nanomaterials have attracted a remarkable increase in interest since the successful fabrication of graphene in 2004. [1][2][3] Graphene is a material with ultrahigh mobilities, owing to its extremely low carrier effective mass, and hence it is viewed as a promising candidate for highspeed electronic devices. 4,5 Inspired by the unique properties originating from 2D nanostructures, group-IV (silicon, germanium, and tin) analogues have been theoretically and experimentally investigated.…”

Section: Introductionmentioning

confidence: 99%

Two-dimensional penta-Sn₃H₂ monolayer for nanoelectronics and photocatalytic water splitting: a first-principles study

Zhang¹,

Yang

Wu³

et al. 2018

RSC Adv.

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“…Inducing a magnetic moment in the structure is particularly important for graphene-based spintronics. [42,43] 2D polyaniline (C 3 N) has recently been synthesized [44] and may find numerous potential applications such as in solar cell devices, [45] gas sensors, [46][47][48][49][50] catalysts, [51] transistors, [52,53] energy storage, [52] and other applications. [14,[33][34][35][36] Optical spectra could be an effective approach for studying the exchange-split electronic band structure of magnetic hydrogenated graphene, and enable the determination of whether the ground state of hydrogenated graphene is magnetic.…”

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confidence: 99%

Exploiting the Novel Electronic and Magnetic Structure of C₃N via Functionalization and Conformation

Bafekry

Stampfl

Shayesteh

et al. 2019

Adv Elect Materials

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interest in its practical application has given rise to research efforts toward investigations, both theoretical/computational and experimental/synthesis into how a band gap can be introduced. [16][17][18][19] Functionalization with oxygen atoms, [20] fluorine atoms, [21,22] and hydrogen atoms [23][24][25][26][27] alters the properties of graphene and, in some cases, causes a transition to a different kind of material: For example, full hydrogenation (a graphene layer with full coverage of hydrogen on each side) leads to a nonmagnetic, direct wide-gap semiconductor, as predicted by Sofo et al. [28] from ab initio calculations, which was demonstrated experimentally by Elias et al. [29] 2 years later. Semi-hydrogenation (full coverage of hydrogen on one side), on the other hand, as predicted by Zhou et al., [30] produces the ferromagnetic, indirect narrow-gap semiconductor graphone. The predicted transition from graphene to graphone and graphane with increasing hydrogen coverage, demonstrates the decisive role of adsorbed hydrogen for determining the properties of the resulting graphene derivate. Inducing a magnetic moment in the structure is particularly important for graphene-based spintronics. [31,32] A number of studies have reported that hydrogenated graphene is magnetic for certain degrees of hydrogenation. [14,[33][34][35][36] Optical spectra could be an effective approach for studying the exchange-split electronic band structure of magnetic hydrogenated graphene, and enable the determination of whether the ground state of hydrogenated graphene is magnetic. Functionalization by adsorbed atoms can to tune the atomic, electronic, and magnetic structure of 2DMs; in particular, hydrogenation. [37][38][39][40][41] By chemically modifying C 3 N to its fully hydrogenated form (FH) C 3 N, each C or N atom will have an extra nonbonding electron. Thus, fully hydrogenated C 3 N may be expected to have similar properties to graphene, silicene, or germanene, and become a Dirac material. [42,43] 2D polyaniline (C 3 N) has recently been synthesized [44] and may find numerous potential applications such as in solar cell devices, [45] gas sensors, [46][47][48][49][50] catalysts, [51] transistors, [52,53] energy storage, [52] and other applications. [54][55][56] Theoretical studies have been performed for C 3 N including heterostructures, [57,58] effect of external fields such as strain and electric field, [59][60][61] thermal transport and mechanical properties, [62][63][64][65] doping and vacancy defects, [66,67] layer thickness, [68] edge states, [69] and magnetism. [70] 2D polyaniline, C 3 N, is of recent high interest due to its unusual properties and potential use in various technological applications. In this work, through systematic first-principles calculations, the atomic, electronic, and magnetic structure of C 3 N and the changes induced due to functionalization by the adsorption of hydrogen, oxygen, and fluorine, for different coverages and sites, as well as on formation of nanoribbons including the effect of ads...

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Superior Selectivity and Sensitivity of C₃N Sensor in Probing Toxic Gases NO₂ and SO₂

Cited by 123 publications

References 25 publications

Electrical and mechanical properties of a fully hydrogenated two-dimensional polyaniline sheet

Electrical and mechanical properties of a fully hydrogenated two-dimensional polyaniline sheet

Two-dimensional penta-Sn₃H₂ monolayer for nanoelectronics and photocatalytic water splitting: a first-principles study

Exploiting the Novel Electronic and Magnetic Structure of C₃N via Functionalization and Conformation

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Superior Selectivity and Sensitivity of C3N Sensor in Probing Toxic Gases NO2 and SO2

Cited by 123 publications

References 25 publications

Electrical and mechanical properties of a fully hydrogenated two-dimensional polyaniline sheet

Electrical and mechanical properties of a fully hydrogenated two-dimensional polyaniline sheet

Two-dimensional penta-Sn3H2 monolayer for nanoelectronics and photocatalytic water splitting: a first-principles study

Exploiting the Novel Electronic and Magnetic Structure of C3N via Functionalization and Conformation

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Superior Selectivity and Sensitivity of C₃N Sensor in Probing Toxic Gases NO₂ and SO₂

Two-dimensional penta-Sn₃H₂ monolayer for nanoelectronics and photocatalytic water splitting: a first-principles study

Exploiting the Novel Electronic and Magnetic Structure of C₃N via Functionalization and Conformation