Computational modelling of an amide functionalized single-walled carbon nanotube based H2S gas sensor

Bagherzadeh-Nobari, S.; Istadeh, Kiarash Hosseini; Kalantarinejad, Reza

doi:10.1016/j.physe.2019.113691

Cited by 9 publications

(5 citation statements)

References 44 publications

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“…But they come with some challenges and problems such as high cost and are time consuming (Milford Ward et al 2001 ). Nowadays, nano filed effect transistor (FET) biosensors have attracted considerable attention (Bagherzadeh-Nobari et al 2018a , 2020 ; Kalantari-Nejad et al 2010 ) since they can be used as the label-free and real-time detection for biomolecules such as proteins, DNA, and bacteria (Thanihaichelvan et al 2021 ; Kalantari-Nejad et al 2010 ; Viswanathan et al 2015 ; Bagherzadeh-Nobari et al 2018b ; Wu et al 2018 ). Also, the fabrication of these FET biosensors is possible by some companies such as Graphenea (Fakih et al 2019 ; Hayashi et al 2020 ).…”

Section: Introductionmentioning

confidence: 99%

Real-time label-free detection of DNA hybridization using a functionalized graphene field effect transistor: a theoretical study

Bagherzadeh-Nobari

Kalantarinejad²

2021

J Nanopart Res

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Graphical abstract Detection of DNA hybridization with high sensitivity and accuracy plays a major role in clinical diagnosis and treatment. Despite intense experimental studies of graphene field effect transistor as DNA hybridization detector, the mechanism of detection and changes in the electrical properties of the device is not investigated in detail. To this end, we have investigated an armchair graphene nanoribbon (AGNR) interconnected between gold electrodes as a detector of DNA hybridization. Using non-equilibrium Green’s function method and density functional theory, the effect of 1-pyrenebutanoic acid succinimidyl ester (PBASE) linker, probe, and target DNA on the electrical properties of the device has been investigated at zero bias voltage. The results show that, after functionalization of AGNR with PBASE, the conductance of the device increases while functionalization with probe and target DNA leads to a decrease in conductance. The changes in the projected density of states on the AGNR and transmission around Fermi energy are the reason for the change in conductance of the system. In all cases, both charge transfer and electrostatic gating are responsible for the change in the electrical properties of the system. The results show that our device detects DNA hybridization with a sensitivity of 10% at zero bias voltage, and by applying a suitable gate voltage, it can show higher sensitivity.

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Section: Introductionmentioning

confidence: 99%

Real-time label-free detection of DNA hybridization using a functionalized graphene field effect transistor: a theoretical study

Bagherzadeh-Nobari

Kalantarinejad²

2021

J Nanopart Res

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“…166 The sensing mechanism of SWCNT-based sensors is dependent on the specific type of sensor employed. 167 SWCNTs are useful in chemical sensing, because spectroscopy can detect these changes. For instance, when certain proteins bind to SWCNTs, fluorescence shifts, allowing precise protein presence and concentration detection.…”

Section: Chirality-sorted/monochiral Swcntsmentioning

confidence: 99%

“…SWCNT-based sensors have been employed in diverse sensing applications, encompassing biosensing, and chemical sensing . The sensing mechanism of SWCNT-based sensors is dependent on the specific type of sensor employed . SWCNTs are useful in chemical sensing, because spectroscopy can detect these changes.…”

Section: Sensing With Chirality-sorted/monochiral Swcntsmentioning

confidence: 99%

Understanding the Molecular Assemblies of Single Walled Carbon Nanotubes and Tailoring their Photoluminescence for the Next-Generation Optical Nanosensors

Sultana,

Dewey,

Arellano

et al. 2024

Chem. Mater.

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Interest in optical materials for biomedical imaging and sensing applications has grown significantly in recent decades. Among a variety of material choices, single-walled carbon nanotubes (SWCNTs) are emerging materials for molecular imaging, sensing, and optoelectronic applications due to their nonphotobleaching photoluminescence in the tissue-transparent near-infrared spectral window. However, pristine SWCNTs need surface functionalization to render them soluble in biofriendly media and facilitate their interaction with target analytes. Understanding the functionalization of SWCNTs and the structures of their resulting molecular assemblies plays a pivotal role in yielding efficient optical probes and sensors. Studies have shown that the size, composition, configuration, and concentration of functionalizing compounds on the nanotube surface can affect the nanotube dispersions and optical characteristics. Herein, we review recent progress in the design, synthesis, and applications of SWCNT-based optical nanosensors. An overview of nanotube structure, functionalization, suspension of SWCNTs in solutions with various dispersants, and their molecular assemblies presented from molecular dynamics simulation studies is provided. We further discuss how these assemblies along with solvent dielectric affect nanotube dispersion efficiencies, their role in a nanotube's optical response to a change in its local environment, and how a nanotube's optical properties are utilized for sensor development.

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“…198 The computational results of H 2 S adsorption on the pristine SWCNTs (80.16%) showed the highest sensitivity and lowest recovery time compared with B-doped (60.79%) and N-doped CNT (78.76%). Further, Nobari et al studied amidefunctionalized SWCNTs as an H 2 S sensor computationally using the AVAGADRO soware 199 and reported the maximum sensitivity of 89.3% at 40 mV. Together with SWCNTs, MWCNTs have also been explored for H 2 S sensing applications.…”

Section: H 2 S Sensorsmentioning

confidence: 99%

Recent trends in gas sensingviacarbon nanomaterials: outlook and challenges

et al. 2021

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Computational modelling of an amide functionalized single-walled carbon nanotube based H2S gas sensor

Cited by 9 publications

References 44 publications

Real-time label-free detection of DNA hybridization using a functionalized graphene field effect transistor: a theoretical study

Real-time label-free detection of DNA hybridization using a functionalized graphene field effect transistor: a theoretical study

Understanding the Molecular Assemblies of Single Walled Carbon Nanotubes and Tailoring their Photoluminescence for the Next-Generation Optical Nanosensors

Recent trends in gas sensingviacarbon nanomaterials: outlook and challenges

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