Search results for " Fullerene"

Effect of the nanotube aspect ratio and surface functionalization on the morphology and properties of multiwalled carbon nanotube polyamide-based fib…

2013

In this study, the effect of the carbon nanotube (CNT) aspect ratio and surface functionalization on the mechanical behavior and morphological changes of polyamide (PA)-based fibers was investigated. Composites were prepared by the melt blending of CNTs with PA, and at a later time, the fibers were prepared by melt spinning and cold drawing. A reinforcement effect was noticed for all of the CNTs samples, and the increase in the mechanical properties and dimensional stability was more pronounced for highly oriented filaments. When the elongational flow was increased, the orientation of CNTs along the fiber direction was observed, but the nanotube alignment was much more difficult for CNTs wi…

Buckyballs

2013

Buckyballs represent a new and fascinating molecular allotropic form of carbon that has received a lot of attention by the chemical community during the last two decades. The unabating interest on this singular family of highly strained carbon spheres has allowed the establishing of the fundamental chemical reactivity of these carbon cages and, therefore, a huge variety of fullerene derivatives involving [60] and [70]fullerenes, higher fullerenes, and endohedral fullerenes have been prepared. Much less is known, however, of the chemistry of the uncommon non-IPR fullerenes which currently represent a scientific curiosity and which could pave the way to a range of new fullerenes. In this revi…

High-precision measurement of the electron spin g factor of trapped atomic nitrogen in the endohedral fullerene N@C60

2018

Abstract The electronic g factor carries highly useful information about the electronic structure of a paramagnetic species, such as spin-orbit coupling and dia- or paramagnetic (de-)shielding due to local fields of surrounding electron pairs. However, in many cases, a near “spin-only” case is observed, in particular for light elements, necessitating accurate and precise measurement of the g factors. Such measurement is typically impeded by a “chicken and egg situation”: internal or external reference standards are used for relative comparison of electron paramagnetic resonance (EPR) Larmor frequencies. However, the g factor of the standard itself usually is subject to a significant uncerta…

Insertion of Be Atoms inC60Fullerene Cages:Be@C60

1996

Radioactive endohedral {sup 7}Be@C{sub 60} can be detected using radiochemical and radiochromatographic techniques in the final solvent. Such a {sup 7}Be atom can penetrate into the C{sub 60} cage to produce {sup 7}Be@C{sub 60} by a recoil process of the nuclear reactions. An {ital ab} {ital initio} molecular dynamics simulation was carried out to demonstrate that a direct insertion process is really possible. Both the experimental and the theoretical results were consistent with each other. {copyright} {ital 1996 The American Physical Society.}

Improved performance in flexible organic solar cells by using copolymeric phase-separation modulators

2018

One of the main problems related to the low performance of the organic solar cells (OSCs), concerns the low mobility of the materials constituting the heterojunction. Indeed, the poor charge transport in the active layer is the principal cause of a competition between separation and recombination of the photogenerated carriers. In this regard, a major obstacle to enhance OSCs efficiency is developing strategies to optimize the exciton dissociation and, consequently, the charge collection at the electrodes. Donor and acceptor systems must be well mixed on the length scale of 5 – 20 nm (exciton diffusion length) to meet the criteria for efficient exciton dissociation. In addition, the network…

Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using cholesky dec…

2004

A new implementation of the approximate coupled cluster singles and doubles CC2 linear response model using Cholesky decomposition of the two-electron integrals is presented. Significantly reducing storage demands and computational effort without sacrificing accuracy compared to the conventional model, the algorithm is well suited for large-scale applications. Extensive basis set convergence studies are presented for the static and frequency-dependent electric dipole polarizability of benzene and C60, and for the optical rotation of CNOFH2 and (−)-trans-cyclooctene (TCO). The origin-dependence of the optical rotation is calculated and shown to persist for CC2 even at basis set convergence. …

As the change in ternary agent structure influence the chiral recognition ability of pyrene/heptakis-(6-amino)-(6-deoxy)-b-cyclodextrin

Cyclodextrin-[60]fullerene conjugates: Synthesis, characterization and electrochemical behavior

Cyclodextrin-[60]fullerene conjugates: synthesis, characterization, and electrochemical behavior

2006

Three different functionalized β-cyclodextrins (β-CDs) bearing the C60 moiety linked covalently have been prepared in good yields by reaction between the parent β-CD and [60]fullerene via 1,3-dipolar cycloaddition. These compounds have been fully spectroscopically characterized and their electrochemical behavior has been investigated. Surprisingly, the electrochemical properties of the C60 cage remain unaltered even after chemical functionalization, making these systems very appealing as supramolecular hosts for electron-transfer processes.

Conjugation with carbon nanotubes improves the performance of mesoporous silicon as Li-ion battery anode

2020

Carbon nanotubes can be utilized in several ways to enhance the performance of silicon-based anodes. In the present work, thermally carbonized mesoporous silicon (TCPSi) microparticles and single-walled carbon nanotubes (CNTs) are conjugated to create a hybrid material that performs as the Li-ion battery anode better than the physical mixture of TCPSi and CNTs. It is found out that the way the conjugation is done has an essential role in the performance of the anode. The conjugation should be made between negatively charged TCPSi and positively charged CNTs. Based on the electrochemical experiments it is concluded that the positive charges, i.e., excess amine groups of the hybrid material i…