Single-walled carbon nanotube (SWNT) has gained significant interest as a transducer in various electrochemical sensing devices due to their unique structure, compatibility with biomolecules, and excellent electronic properties. As-prepared SWNTs are usually a mixture of semiconducting and metallic ones. Despite of the higher content of semiconducting components in mixed SWNTs, metallic properties are predominantly expressed due to the bundling issue of the SWNT during the fabrication process, limiting the applicability to bio-transistor application. Here, we present a multi-scale semiconducting electronic film of SWNTs as a transducing platform for electrochemical field-effect-transistor (eFET) suitable for the sensitive detection of subtle biological modulation. A genetically engineered filamentous M13 phage showing strong binding affinity toward SWNTs on its body surface was used as a biological material, allowing us to fabricate a large-scale transparent semiconducting nanocomposite. As the relative ratio of SWNT to M13 phage decreases, the on–off ratio of SWNT electronic film increases by 1200%. To show broad applicability, the multi-scale SWNT nanomesh-based eFET is applied for monitoring a variety of biological reactions in association with enzymes, aptamers, and even cyanobacteria. The biomimetic electronic material system with the capability of transducing biological responses at a large scale over a broad dynamic range holds excellent promise for biosensors, biofuel cells, and environment monitoring.

Hydroxyl radical (OH radical) is the most harmful free radical amongst the Reactive Oxygen Species (ROS) responsible for numerous diseases of DNA damage like mutagenesis, carcinogenesis and ageing. Therefore, it is important to find a suitable scavenger for OH radical. In the present contribution, we aim to investigate the ability of pristine armchair-SWCNT and B/N/P-doped armchair-SWCNT to scavenge OH radicals using DFT calculations. The calculations reveal that the B/Pdoped armchair-SWCNTs can act as a better scavenger for OH radical compared to pristine armchair-SWCNT but N-doped armchair-SWCNT does not act as a better scavenger for OH radical compared to pristine armchair-SWCNT. Furthermore, the developed scavenger is examined in terms of large-scale availability, biocompatibility, conductivity, stability and reactivity. For both in vivo and in vitro studies, the work is found to useful for enhancing SWCNT as a free radical scavenger.

We report the use of face mask materials as a carbon precursor for the synthesis of multi- and single-walled carbon nanotubes (CNTs) in an open-loop chemical recycling process. Novel surgical mask precursors were suspended in toluene and injected into a chemical vapor deposition reactor previously optimized for CNT production using liquid injection. The CNTs were collected and characterized using resonant Raman spectroscopy, transmission electron microscopy (TEM) and scanning electron microscopy (SEM) before being turned into fibrils that were tested for electrical conductance. Once confirmed and repeated for statistical accuracy, a CNT-based Ethernet cable was manufactured and tested using iPerf3 for uplink and downlink speeds exceeding broadband standards worldwide. Radial breathing modes from Raman spectroscopy indicate single walled CNTs (SWCNTs) with diameters ranging from 0.8 to 1.55 nm and this matches well with TEM observations of SWCNTs with 1.5 nm diameter. This work pushes the horizon of feedstocks useful for CNT and SWCNT production in particular; this work demonstrates upcycling of materials fated for disposal into materials with positive net value and plenty of real-world applications.

We investigated the electronic and mechanical properties of single-walled carbon nanotubes (SWCNTs) with different tube diameters using density functional theory (DFT) and molecular dynamics (MD) simulation, respectively. The carbon nanotubes’ electronic properties were derived from the index number ( n 1 , n 2 ), lattice vectors, and the rolled graphene sheet orientation. For (6,1) SWCNT, ( n 1-n 2)/3 is non-integer, so the expected characteristic is semiconducting. We have considered (6,1) Chiral SWCNT with different diameters ‘d’ (4.68 Å, 4.90 Å, 5.14 Å, 5.32 Å, 5.53 Å) corresponds to respective bond lengths ‘  ’ (1.32 Å, 1.38 Å, 1.45 Å, 1.50 Å and 1.56 Å) and then analyze the electronic properties from the Linear Combination of Atomic Orbitals (LCAO) based on DFT. We have used both the DFT-1/2 and GGA exchange energy correlation approximations for our calculation and compared the results. In both cases, the energy bandgap is decreasing order with the increase in bond lengths. The lowest value of formation energy was obtained at the bond length  = 1.45 Å ( d = 5.14 Å). For the mechanical properties, we have calculated Young’s modulus using molecular dynamics (MD) simulations. From our calculation, we have found that the (6,1) SWCNT with bond length 1.45 Å ( d = 5.14 Å) has Young’s modulus value of 1.553 TPa.

Carbonaceous materials are considered as potential adsorbents for organic dyes due to their unique structures which provide high aspect ratios, hydrophobic property, large efficient surface area, and easy surface modification. In this work, graphene nanoribbons (GNRs) were prepared by atomic hydrogen-induced treatment of single-walled carbon nanotube (SWCNTs), which inspire the idea of cutting and unzipping the SWCNTs carpets with the modified in molecules prevent because of the unfolding of the side-walls. The unfolded spaces and uniform vertical arrangement not only enhance the active surface area, but also promote the electrostatic and π–π interactions between dyes and GNRs. The improved adsorption capacity of GNRs beyond original SWCNTs can be determined by the adsorption kinetics and isotherm, which are evaluated through adsorption batch experiments of the typical cationic methylene blue (MB) and anionic orange II (OII) dye, respectively. It is shown that the adsorption kinetics follow a pseudo second-order model while the adsorption isotherm could be determined by Langmuir model. The results reveal that the maximum adsorption capacities of GNRs for MB and OII are 280 and 265 mg/g, respectively. The GNRs present the highly efficient, cost effective, and environmental friendly properties for the commercial applications of wastewater treatment.

Single C-vacancy and pyridine-like N3 defect are usually formed on the single-walled carbon nanotube (SWCNT) and they have unique properties for potential applications. In this paper, we use density functional theory to investigate the discrepancies of such two structures from the geometric and electronic aspects. Our results indicate that the existed single vacancy in the SWCNT can lead to somewhat electron localization because of the lone pair electrons; while the N3 embedded SWCNT ( N3-SWCNT) has stronger chemical reactivity and electron localization than the single vacancy SWCNT (SV-SWCNT) due to the great charge transfer between N3 group and C atom on the tube sidewall. Through the investigation of Ag-doping on the above two nano-structures, we found that the single Ag atom is much more stably adsorbed on the N3- SWCNT sidewall compared with SV-SWCNT, forming higher binding energy and higher electron transfer. Our calculation would shed light on the physicochemical property of SWCNT-based material and thus extend their potential applications in many fields.

Linear carbon chains (LCCs) encapsulated inside the hollow cores of carbon nanotubes (CNTs) have been experimentally synthesized and structurally characterized by Raman spectroscopy and transmission electron microscopy. However, in terms of electronic conductivity, their transportation mechanism has not been investigated theoretically or experimentally. In this study, the density of states and quantum conductance spectra were simulated through density functional theory combined with the non-equilibrium Green function method. The encapsulated LCCs inside (5,5), (6,4), and (9,0) single-walled carbon nanotubes (SWCNTs) exhibited a drastic change from metallic to semiconducting or from semiconducting to metallic due to the strong charge transfer between them. On the other hand, the electronic change in the conductance value of LCCs encapsulated inside the (7,4) SWCNT were in good agreement with the superposition of the individual SWCNTs and the isolated LCCs owing to the weak charge transfer.

Surfactant-wrapped separation methods of metallic and semiconducting single-walled carbon nanotubes (SWCNTs) can result in large changes in intrinsic physical and chemical properties due to electronic interactions between a nanotube and a surfactant. Our approach to synthesize SWCNTs with an electronic feature relied on utilizing carbon nanorings, [n] cycloparaphenylenes ([n]CPPs), which are the fundamental unit of armchair type SWCNTs (a-SWCNTs) that possess a metallic feature without any surfactants. To obtain long tubular structures from [n]CPPs, the host-guest complexes formed with well-aligned [n]CPP hosts and various fullerene guests on a silicon substrate were pyrolyzed under an ethanol gas flow at a high temperature with focused-ultraviolet laser irradiation. The pyrolyzed [n]CPPs were observed to transform from nanorings to tubular structures with 1.5–1.7 nm diameters corresponding to the employed diameter of [n]CPPs. Our approach suggests that [n]CPPs are useful for structure-controlled synthesis of SWCNTs.

Carbon chain inserted carbon nanotubes (CNTs) have been experimentally proven having undergone pronounced property change in terms of electrical conductivity compared with pure CNTs. This paper simulates the geometry of carbon chain inserted CNTs and analyzes the mechanism for conductivity change after insertion of carbon chain. The geometric simulation of Pt doped CNT was also implemented for comparison with the inserted one. The results indicate that both modification by Pt atom on the surface of CNT and addition of carbon chain in the channel of the tube are effective methods for transforming the electrical properties of the CNT, leading to the redistribution of electron and thereby causing the conductivity change in obtained configurations. All the calculations were obtained based on density functional theory method.

We demonstrated the sensitivity of optically active single-walled carbon nanotubes (SWCNTs) with a diameter below 1 nm that were homogeneously dispersed in cement composites under a mechanical load. Deoxyribonucleic acid (DNA) was selected as the dispersing agent to achieve a homogeneous dispersion of SWCNTs in an aqueous solution, and the dispersion state of the SWCNTs were characterized using various optical tools. It was found that the addition of a large amount of DNA prohibited the structural evolution of calcium hydroxide and calcium silicate hydrate. Based on the in-situ Raman and X-ray diffraction studies, it was evident that hydrophilic functional groups within the DNA strongly retarded the hydration reaction. The optimum amount of DNA with respect to the cement was found to be 0.05 wt%. The strong Raman signals coming from the SWCNTs entrapped in the cement composites enabled us to understand their dispersion state within the cement as well as their interfacial interaction. The G and G’ bands of the SWCNTs sensitively varied under mechanical compression. Our results indicate that an extremely small amount of SWCNTs can be used as an optical strain sensor if they are homogeneously dispersed within cement composites.

The thermoelectric Seebeck and Peltier effects of a single walled carbon nanotube (SWCNT) quantum dot nanodevice are investigated, taking into consideration a certain value of applied tensile strain and induced ac-field with frequency in the terahertz (THz) range. This device is modeled as a SWCNT quantum dot connected to metallic leads. These two metallic leads operate as a source and a drain. In this three-terminal device, the conducting substance is the gate electrode. Another metallic gate is used to govern the electrostatics and the switching of the carbon nanotube channel. The substances at the carbon nanotube quantum dot/ metal contact are controlled by the back gate. Results show that both the Seebeck and Peltier coefficients have random oscillation as a function of gate voltage in the Coulomb blockade regime for all types of SWCNT quantum dots. Also, the values of both the Seebeck and Peltier coefficients are enhanced, mainly due to the induced tensile strain. Results show that the three types of SWCNT quantum dot are good thermoelectric nanodevices for energy harvesting (Seebeck effect) and good coolers for nanoelectronic devices (Peltier effect).

In this study, we report a general method for preparation of a one-dimensional (1D) arrangement of Au nanoparticles on single-walled carbon nanotubes (SWNTs) using biologically programmed peptides as structure-guiding 1D templates. The peptides were designed by the combination of glutamic acid (E), glycine (G), and phenylalanine (F) amino acids; peptides efficiently debundled and exfoliated the SWNTs for stability of the dispersion and guided the growth of the array of Au nanoparticles in a controllable manner. Moreover, we demonstrated the superior ability of 1D nanohybrids as flexible, transparent, and conducting materials. The highly stable dispersion of 1D nanohybrids in aqueous solution enabled the fabrication of flexible, transparent, and conductive nanohybrid films using vacuum filtration, resulting in good optical and electrical properties.

본 연구에서는 유연성을 갖는 전극 제조를 위해 환원된 그래핀 옥사이드/단일벽 탄소나노튜 브 복합체를 금이 코팅된 PET 기판 위에 스프레이 코팅하였다. 제조된 플렉시블한 전극의 전기 용량 값 은 1 M의 황산 전해질과 100 mV s-1 의 주사속도에서 82 F g-1 으로 측정 되었으며, 이 용량 값은 500 번의 굽힘 시험 후에 38 F g-1 로 감소되는 현상을 확인 하였다. 또한, 이러한 결과는 정전류 충 방전과 전기화학 임피던스법을 포함한 전기화학적 분석 결과와도 부합하는 결과를 나타내었다. 유연성을 갖는 환원된 그래핀 옥사이드/단일벽 탄소나노튜브 복합체 전극은 500회의 반복적인 굽힘 시험 후에도 대략 50%의 초기 전기 용량 값을 유지 할 수 있었으며, 이러한 여러 가지 전기화학적 특성을 고려하여 볼 때 미래 개발 가능한 플렉시블한 에너지 저장 매체로써의 적용이 가능 하다는 점을 확인 할 수 있었 다.

본 연구에서는 유연성을 갖는 전극 제조를 위해 산 처리된 단일벽 탄소나노튜브 (Acid treated-SWCNTs)를 금이 코팅된 PET 기판 위에 스프레이 코팅하였다. 단일벽 탄소나노튜브가 가지는 단점을 보완하기 위하여 산 처리 공정을 이용하여 나노튜브에 작용기를 도입하여 분산성을 극대화 시켰 으며 전기화학적 특성을 향상 시켰다. 스프레이 기술을 이용하여 제조된 유연성을 갖는 단일벽 탄소나노 튜브 기반의 전극을 1 M의 황산 전해질에서 순환 전압 전류법, 임피던스 분광법 그리고 충·방전 시험을 통하여 전기화학적 특성을 분석 하였다. 그 결과, 응력을 가하지 않은 전극의 전기 용량값은 67 F․g-1로 측정 되었으며, 1000번의 충·방전 시험 후에는 전기 용량값이 63 F․g-1 (94 % 유지)로 감소하는 결과를 보였다. 이에 반하여, 탄소나노튜브 기반의 플렉시블 전극은 500번의 굽힘 시험 (bending test)과 6000 번의 충·방전 시험 후에는 초기의 전기 용량값 (67 F․g-1)이 유지되는 결과를 얻었다.

This paper addresses the effect of dopants on the electronic properties of zigzag (8, 0) semiconducting single walled carbon nanotubes (SWCNTs), using extended Hückel theory combined with nonequilibrium Green’s function formalism. Through appropriate dopant concentrations, the electronic properties of SWCNTs can be modified. Within this context, we present our ongoing investigation on (8, 0) SWCNTs doped with nitrogen. Quantum confinement effects on the electronic properties of the SWCNTs have also been investigated. The obtained results reveal that the electronic properties of SWCNTs are strongly dependent on the dopant concentration and modification of electronic structures by hydrogen confinement.

Recent studies have been reported the presence of Endocrine Disrupting Compounds, Pharmaceuticals and Personal Care Products (EDC/PPCPs) in surface and wastewater, which could potentially affect to the complicate behavior in coupled presence of nano-colloid particles and surfactants (adsorption, dispersion, and partitioning). In this study, the adsorption of EDC/PPCPs by Single Walled Carbon Nanotubes (SWNTs) as a representative of nano-particles in cationic surfactant solutions were investigated. Hydrophobic interactions (π-π Electron Donor-Acceptor) have been reported as a potential adsorption mechanisms for EDC/PPCPs onto SWNTs. Generally, the adsorptive capacity of the relatively hydrophobic EDC/PPCPs onto SWNTs decreased in the presence of cationic surfactant (Cetyltrimethyl Ammonium Bromide, CTAB). This study revealed that the competitive adsorption occurred between CTAB cations and EDC/PPCPs by occupying the available SWNT surface (CTAB adsorption onto SWNTs shows five-regime and maximum adsorption capacity of 370.4 mg/g by applying the BET isotherm). The adsorption capacity of 17α-ethinyl estradiol (EE2) on SWNT showed the decrease of 48% in the presence of CTAB. However, the adsorbed naproxen (NAP) surely increased by forming hemimicelles and resulted in a favorable media formation for NAP partition to increase SWNTs adsorption capacity. The adsorbed NAP increased from 24 to 82.9 mg/g after the interaction of CTAB with NAP. The competitive adsorption for EDC/PPCPs onto SWNTs is likely to be a key factor in the presence of cationic surfactant, however, NAP adsorption showed a slight competition through CH3-CH3 interaction by forming hemimicelles on SWNT surface.

We demonstrated size control of Au nanoparticles by heat treatment and their use as a catalyst for single-walled carbon nanotube (SWNTs) growth with narrow size distribution. We used uniformly sized Au nanoparticles from commercial Au colloid, and intentionally decreased their size through heat treatment at 800 oC under atmospheric Ar ambient. ST-cut quartz wafers were used as growth substrates to achieve parallel alignment of the SWNTs and to investigate the size relationship between Au nanoparticles and SWNTs. After the SWNTs were grown via chemical vapor deposition using methane gas, it was found that a high degree of horizontal alignment can be obtained when the particle density is low enough to produce individual SWNTs. The diameter of the Au nanoparticles gradually decreased from 3.8 to 2.9 nm, and the mean diameter of the SWNTs also changed from 1.6 to 1.2 nm for without and 60 min heat treatment, respectively. Raman results reconfirmed that the prolonged heat treatment of nanoparticles yields thinner tubes with narrower size distribution. This work demonstrated that heat treatment can be a straightforward and reliable method to control the size of catalytic nanoparticles and SWNT diameter.

Controlling the stick and slip motions of the contact lines in a confined geometry comprised of a spherical lens with a flat substrate is useful for manufacturing polymer ring patterns. We used a sphere on a flat geometry, by which we could control the interfaces of the solution, vapor and substrate. By this method, hundreds of concentric ring-pattern formations of a linear conjugated polymer, poly [2-methoxy-5-(2-thylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV), were generated with excellent regularity over large areas after complete solvent evaporation. Subsequently, the MEH-PPV ring patterns played a role as a directed template to organize highly regular concentric rings of single-walled carbon nanotubes(SWCNTs); when a droplet of the SWCNT suspension in water was casted onto the prepared substrate, hydrophobic polymer patterns confined the water dispersed SWCNTs in between the hydrophilicized SiO2/Si substrate. As the solvent evaporated, SWCNT-rings were formed in between MEH-PPV rings with controlled density. Finally, we used a lift-off process to produce SWCNT patterns by the removal of a sacrificial polymer template with organic solvent. We also fabricated a field effect transistor using self-assembled SWCNT networks on a SiO2/Si substrate.

Dielectrophoretic filtering and alignment of single-walled carbon nanotubes (SWCNTs) were tested using deuterium oxide as a solvent. A solution of deuterium oxide-SWCNTs was dropped on top of a silicon chip and an ac electric field was applied between pre-defined electrodes. Deuterium oxide was found to be a better solvent than hydrogen oxide for the dielectrophoresis process with higher efficiency of filtering. This was demonstrated by comparing Raman spectra measured on the initial solution with those measured on the filtered solution. We found that the aligned nanotubes along the electric field were not deposited on the substrate but suspended in solution, forming chain-like structures along the field lines. This so-called pearl chain formation of CNTs was verified by electrical measurements through the aligned tubes. The solution was frozen in liquid nitrogen prior to the electrical measurements to maintain the chain formation. The current-voltage characteristics for the sample demonstrate the existence of conduction channels in the solution, which are associated with the SWCNT chain structures.