Related papers: Triplet absorption in carbon nanotubes: a TD-DFT s…
We use ab intio density functional theory to investigate the adsorption properties of acetylsalicylic acid or aspirin on a (10, 0) carbon nanotube (CNT) and a (8, 0) triazine-based graphitic carbon nitride nanotube (CNNT). It is found that…
A simplified density functional theory (DFT) method for charged adsorbates on an ultrathin, insulating film supported by a metal substrate is developed and presented. This new method is based on a previous DFT development that uses a…
In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study the electronic structure, phonon dispersion, and…
This work represents the first electro-thermal study of metallic single-wall carbon nanotubes (SWNTs) for interconnect applications. Experimental data and careful modeling reveal that self-heating is of significance in short (1 < L < 10 um)…
Carbon nanotubes (CNTs) are a promising material for high-performance electronics beyond silicon. But unlike silicon, the nature of the transport band gap in CNTs is not fully understood. The transport gap in CNTs is predicted to be…
Because of their natural one-dimensional (1D) structure combined with intricate chiral variations, carbon nanotubes (CNTs) exhibit various exceptional physical properties, such as ultrahigh electrical and thermal conductivity, exceptional…
We have studied the electronic structure and charge-carrier dynamics of individual single-wall carbon nanotubes (SWNTs) and nanotube ropes using optical and electron-spectroscopic techniques. The electronic structure of semiconducting SWNTs…
High performance nanocomposites require well dispersion and high alignment of the nanometer-sized components, at a high mass or volume fraction as well. However, the road towards such composite structure is severely hindered due to the easy…
A method is introduced to isolate and measure the electrical transport properties of individual single-walled carbon nanotubes (SWNTs) aligned on an ST-cut quartz, from room temperature down to 2 K. The diameter and chirality of the…
Bias-induced light emission and thermal radiation from conducting channels of carbon nanotubes (CNTs) with defects are studied theoretically within the framework of nonequilibrium Green's function method based on a tight-binding model.…
We experimentally demonstrate laser-driven deposition of single-walled carbon nanotubes (CNTs) in suspended core fibers (SCFs) for the first time. Two samples for each SCF type with three (SCF1) and four (SCF2) air holes are individually…
We perform a detailed analysis of the band structure, phonon dispersion, and electron-phonon coupling of three types of small-radius carbon nanotubes (CNTs): (5,0), (6,0), and (5,5) with diameters 3.9, 4.7, and 6.8 \AA respectively. The…
Carbon Nanotubes (CNTs) of sufficiently large diameter and a few layers self-collapse into flat ribbons at atmospheric pressure, forming bundles of stacked CNTs that maximize packing and thus CNT interaction. Their improved stress transfer…
Recent transient absorption experiments on CdS nanorods suggest that photoexcited holes rapidly trap to the surface of these particles and then undergo diffusion along the rod surface. In this paper, we present a semiperiodic DFT model for…
In this paper, we model the evolution and self-assembly of randomly oriented carbon nanotubes (CNTs), grown on a metallic substrate in the form of a thin film for field emission under diode configuration. Despite high output, the current in…
Although individual carbon nanotubes (CNTs) are superior as constituents to polymer chains, the mechanical and thermal properties of CNT fibers (CNTFs) remain inferior to commercial synthetic fibers due to the lack of synthesis methods to…
In this letter, we demonstrate a strong dependence of the electrostatic deformation of doubly-clamped single-walled carbon nanotubes on both the field strength and the tube length, using molecular simulations. Metallic nanotubes are found…
Random networks of single-walled carbon nanotubes (CNTs) usually contain both metallic (m-CNTs) and semiconducting (s-CNTs) nanotubes with an approximate ratio of 1:2, which leads to a trade-off between on-conductance and on/off ratio. We…
Carbon nanotubes (CTNs) with large aspect-ratios are extensively used to establish electrical connectedness in polymer melts at very low CNT loadings. However, the CNT size polydispersity and the quality of the dispersion are still not…
The interactions between carbon nanotubes (CNTs) and metal adatoms as well as metal contacts are studied by means of ab initio electronic structure calculations. We show that the electronic properties of a semiconducting (8,4) CNT can be…