Sharif Digital Repository

Single-walled carbon nanotubes (SWCNTs) emit near-infrared (NIR) fluorescence that is ideal for optical sensing. However, the low quantum yields diminish the sensor's signal-to-noise ratio and limits the penetration depths for in vivo measurements. In this study, we perform a systematic investigation of the plasmonic effects of Ag and Au nanoparticles of various geometries to tune and even enhance the fluorescence intensity of single-stranded DNA-wrapped SWCNTs (ssDNA-SWCNTs). We observe a chirality-dependent NIR fluorescence enhancement that varies with both nanoparticle shape and material, with Au nanorods increasing (7, 5) and (7, 6) chirality emissions by 80% and 60% and Ag nanotriangles... 

High-performance textile-based energy storage systems with high energy and power densities alongside remarkable cyclic life are always at the leading edge of wearable electronics. Herein, commercial cotton fabrics (CCFs) are used as the substrates for the fabrication of ultra-light, high-performance wearable supercapacitors. Hierarchical microstructures of nickel-cobalt sulfide (Ni-Co-S) decorated single-walled carbon nanotubes (SWCNTs) are used as the positive supercapacitor electrodes. Enhanced electrochemical performance with a specific gravimetric capacity of 331 Cg−1 (at a current density of 0.3 Ag−1) is obtained from these Ni-Co-S@SWCNT@CCF electrodes. Besides, composites of graphene... 

Carbon nanotubes (CNTs) are promising candidates for high-resolution mass nanosensors owing to their unique vibrational behavior. The structural characteristic (e.g. defect type and density) and working temperature have a significant effect on the natural frequency of CNT-based sensors. Herein, a stochastic approach based on novel finite element and molecular mechanics simulations is implemented to model the effect of temperature and structural characteristics of single-wall CNTs including defects (vacancy defect with different densities) and chirality (zigzag and armchair) on their vibrational behavior. The results show that the vacancy defects exert a significant deterioration of the... 

By considering a single-walled carbon nanotube (SWCNT) as a two-dimensional elastica obtained from the roll-up of a graphene sheet into a circular tube, the present paper develops a precise well-posed continuum theory for describing the entire torsional behavior of SWCNTs from an initial unloaded state through their ultimate levels of loading. In addition, the proposed approach can capture the dual ideal shear strengths as well as the asymmetrical behavior of chiral tubes with respect to the direction of the applied torsional loading. The theory incorporates a highly nonlinear constitutive equation which provides information about the nanoscopic morphological parameters of the tubes. As it... 

We hereby demonstrate symmetric and asymmetric supercapacitors (SSCs and ASCs) based on core/shell-like Ni-Co oxide@cotton//Fe2O3-carbon nanotubes@cotton that are capable of storing a remarkable amount of energy, while retaining a high power density and long cycle life. Hierarchical, porous structures of Ni-Co-O nano-rod (NR) decorated Pd-activated cotton fibers (CFs) were fabricated using an eco-benign hydrothermal method and directly used as the cathode of the supercapacitors. Fe2O3-single-wall carbon nanotube (SWCNT) decorated CFs were employed as anodes of the fabricated ASCs. The assembled Ni-Co-O@cotton//Fe2O3-SWCNTs@cotton based ASCs possessed the benefits of a relatively high energy... 

Semiconducting single-walled carbon nanotubes (SWCNTs) are among the few photostable optical emitters that are ideal for sensing, imaging, drug delivery, and monitoring of protein activity. These applications often require strategies for immobilizing proteins onto the nanotube while preserving the optical properties of the SWCNTs. Site-specific and oriented immobilization strategies, in particular, offer advantages for improving sensor and optical signaling responses. In this study, we demonstrate site-specific protein immobilization of a model of enhanced yellow fluorescent protein with a single engineered cysteine residue, using either single-stranded DNA or a pyrene-containing linker to... 

By employing the nonlocal continuum field theory of Eringen and Von Karman nonlinear strains, this paper presents an analytical model for linear and nonlinear dynamics analysis of single-walled carbon nanotubes (SWNTs) conveying fluid with different boundary conditions. In the linear analysis the natural frequencies and critical flow velocities of SWNTs are computed. However, in the nonlinear analysis the effect of nonlocal parameter on nonlinear dynamics of cantilevered SWNTs conveying fluid is investigated by using bifurcation diagram, phase plane and Poincare map. Numerical results confirm existence of chaos as well as a period-doubling transition to chaos. Copyright © 2018 Techno-Press,... 

This report aims the study of dynamic stability of single walled carbon nanocone for some axial length conditions and declination angles of 60°, 120°and 240°. For dynamic stability analysis of Single Walled Carbon Nanocone (SWCNC), the mode shapes and frequencies of the carbon nanocone are extracted using the molecular mechanics approach. The mechanical properties of SWCNC were obtained by the Molecular Mechanics (MM) method. The obtained parameters are used for extraction of the conical shell virtual model of nanocone with the same dimensions. The equations of coupled fluid-structural dynamics of SWCNC are derived using the modal expansion for the structural displacements of the conical... 

The present research deals with bifurcation and vibration responses of a composite truncated conical shell with embedded single-walled carbon nanotubes (SWCNTs) subjected to an external pressure and axial compression simultaneously. The distribution of reinforcements through the thickness of the shell is assumed to be either uniform or functionally graded. The equations of motion are established using Green-Lagrange type nonlinear kinematics within the framework of Novozhilov nonlinear shell theory. Linear membrane prebuckling analysis is conducted to extract the prebuckling deformations. The stability equations are derived by applying the adjacent equilibrium criterion to the prebuckling... 

In this paper, n-tier methodology is developed to design multilevel interconnect architecture of macrocells using single-wall carbon nanotube (SWCNT) bundles. Upper limit of low-bias voltage of SWCNT bundle interconnects is derived and its dependence on temperature, SWCNTs' diameter, and interconnect length is studied. Possibility of using SWCNT bundles as local interconnects at 7.5-nm technology node is discussed, and it is shown that SWCNT bundles with 1 nm diameter cannot be used at the first interconnect metal level. Using Cu and SWCNT bundles, multilevel interconnect architecture of a 7.5-nm ASIC macrocell is designed which reduces the number of metal levels by 27% and power dissipation... 

This paper is concerned with the stability analysis of bridged single walled carbon nanotubes (SWCNT) under temperature changes. A molecular structural mechanics model is utilized to investigate the free vibration frequencies and thermal buckling of SWCNT. In comparison with most of the previous studies, a temperature-variable thermal-expansion-coefficient is used that is negative under a certain temperature. Also thermal variation of Young's modulus of the CNTs is considered. Several studies are performed to investigate the critical temperature change due to heating and cooling of SWCNTs with different chiralities and slenderness ratios and the stability boundaries are determined  

Using reverse nonequilibrium molecular dynamics simulations the influence of intermolecular bridges on the thermal conductivity (λ) in carbon nanotube (CNT) bundles has been investigated. The chosen cross linkers (CH 2, O, CO) strengthen the transversal energy transport relative to the one in CNT bundles without bridges. The results showed that λ does not increase linearly with the linker density. The efficiency of the heat transport is determined by the number of linkers in the direction of the heat flux, the type of the linker, and their spatial ordering. The influence of a forced axial stress on the transversal λ has been also studied. The observed λ reduction with increasing axial... 

By utilizing the fourth-, sixth-, eighth-, and tenth-order elastic moduli tensors of graphene a highly nonlinear constitutive model for it is proposed. Subsequently, an accurate analytical formulation, describing the entire tensile behavior of single-walled carbon nanotubes (SWCNTs) from their initial unloaded states through their ideal strengths, is made possible. The angle of twist which is a critical parameter that varies with the tensile loading is also calculated within the current framework. The estimated value of the theoretical strength of SWCNTs with different chiralities and radii as well as that of graphene ranges from 0.39 to 0.44 TPa. Some peculiarities associated with chirality... 

The elastica is referred to the shape of the curve into which the centreline of a flexible lamina is bent. Hence, single-walled carbon nanotubes (SWCNTs) are treated as the elastica obtained from bending of graphene. The corresponding large deformation accompanies both the material and geometrical non-linearities. The morphology of the free-standing SWCNTs such as the natural angle of twist, bond lengths, tube radius and wall thickness are determined. Moreover, it is shown that the induced self-equilibriated strain field has a remarkable impact on the mechanical behaviour of the nanotube. Utilization of an appropriate non-linear continuum constitutive relation for graphene leads to exact... 

In this paper, the simulation of biomolecules manipulation using molecular dynamics (MD) is studied. In order to investigate the manipulation behavior, we have used the ubiquitin as biomolecule, a single-walled carbon nanotube (SWCNT) as manipulation probe, a two-layer graphene sheet as substrate. Along this line, a series of simulations are conducted to study the effects of different conditions on the success of manipulation process. These conditions include tip diameter, vertical gap between the tip and substrate, initial orientation of protein, and the tip position with respect to the biomolecule  

The instability of large diameter single-walled carbon nanotubes (SWCNTs) conveying fluid is investigated based on the molecular mechanics. Using the modal expansion for structural displacements, the governing equations of coupled fluid-structural dynamics of SWCNTs are derived. The natural frequencies and mode shape of the SWCNTs are obtained based on the molecular structural mechanics to account for the effect of chirality and discrete nature of SWCNTs. The results show that the vibrational behavior of large diameter SWCNTs conveying fluid is size dependent, but the effect of chirality is negligible. The obtained results are compared with the equivalent continuum-based model in the... 

Carbon nanotubes (CNTs) have been recently taken into consideration as mechanical resonators of distinguished capabilities. This study aims at investigating the free vibration characteristics of a single-walled CNT in the vicinity of a fully constrained graphene sheet. Using a molecular structural mechanics model and considering nonlinear van-der-Waals interactions, the static deformation of the nanotube is obtained using an iterative procedure. Then, the governing equations of motion are linearized about the static equilibrium state and the natural frequencies are obtained. The molecular structural mechanics model is verified using established results in literature and then a survey is... 

Carbon nanotubes (CNTs) are viewed as rolled graphene. Thus, an appropriate formulation describing the behavior of CNTs must contain the key information about both their initial configuration as graphene and final configuration as CNT.On this note, to date, somemodels, in particular based on the Cauchy- Born rule, for the description of CNTs behavior exist. A simplifying assumption in some of these models is that the length and perimeter of the CNT equal the corresponding dimensions of the unrolled initial configuration, thus neglecting the induced hoop and longitudinal strains. On the other hand, the present work offers a purely nonlinear continuum model suitable for the description of the... 

In this paper the effect of strain and impurity on the quantum conductance of semiconducting carbon nanotubes (CNTs) have been studied by ab-initio calculations. The effect of strain and impurity on the CNT conducting behavior and physical characteristics, like density of states (DOS), band structure, and atomic local density of state (LDOS), is considered and discussed separately and simultaneously. Our results show that the quantum conductance of semiconductor CNTs is increased by compression strain, elongation strain, and replacing nitrogen and boron doping in its structure. The amount of increasing in the conductance depends on the type of strain and impurity. Conductance of CNT can be... 

Carbon nanotubes were electrodeposited in acetonitrile solution at room temperature using Cu, and Fe-Ni nanoparticles as nucleation sites on HF-etched Si(100) wafer substrate. The electrochemical behavior of the deposition was investigated by voltammetry and chronoamperometry techniques. In order to obtain the optimum growth condition, the deposition critical parameters including current density range, potential and time were studied and calculated. Carbon nanotubes with approximate external diameter of 40-100 nm were fabricated under potentiostatic condition and diffusion control at - 20 V in 4-6 h. The film crystallinity was investigated by means of X-ray diffraction and the tubes...