Fracture toughness of the sidewall fluorinated carbon nanotube-epoxy interface

The effects ofﾠcarbon nanotubeﾠ(CNT)ﾠsidewall fluorination on theﾠinterfaceﾠtoughness of theﾠCNTﾠepoxyﾠinterfaceﾠhave been comprehensively investigated. Nanoscale quantitative single-CNT pull-out experiments have been conducted on individual fluorinatedﾠCNTsﾠembedded in an epoxy matrix,ﾠin situ, within aﾠscanning electron microscopeﾠ(SEM)ﾠusing an InSEMﾮﾠnanoindenter assisted micro-device. Equations that were derived using a continuum fracture mechanics model have been applied to compute theﾠinterfacialﾠfracture energy values for the system. Theﾠinterfacialﾠfracture energy values have also been independently computed by modeling the fluorinated graphene-epoxyﾠinterfaceﾠusingﾠmolecular dynamics simulationsﾠandﾠadhesionﾠmechanisms have been proposed

Raman spectroscopy on carbon nanotubes at high pressure

Raman spectroscopy has been the most extensively employed method to study carbon nanotubes at high pressures. This review covers reversible pressure-induced changes of the lattice dynamics and structure of single- and multi-wall carbon nanotubes as well as irreversible transformations induced by high pressures. The interplay of covalent and van-der-Waals bonding in single-wall nanotube bundles and a structural distortion near 2 GPa are discussed in detail. Attempts of transforming carbon nanotubes into diamond and other "superhard" phases are reviewed critically.Comment: 33 pages, 20 figures, review article, to appear in J. Raman Spectroscop

DFT studies of COOH tip-functionalized zigzag and armchair single wall carbon nanotubes

Structure and energy calculations of pristine and COOH-modified model single wall carbon nanotubes (SWCNTs) of different length were performed at B3LYP/6-31G* level of theory. From 1 to 9 COOH groups were added at the end of the nanotube. The differences in structure and energetics of partially and fully functionalized SWCNTs at one end of the nanotube are observed. Up to nine COOH groups could be added at one end of (9,0) zigzag SWCNT in case of full functionalization. However, for (5,5) armchair SWCNT, the full functionalization was impossible due to steric crowding and rim deformation. The dependence of substituent attachment energy on the number of substituents at the carbon nanotube rim was observed

OH-functionalized open-ended armchair single-wall carbon nanotubes (SWCNT) studied by density functional theory

The structures of ideal armchair (5,5) single-wall carbon nanotubes (SWCNTs) of different lengths (3.7, 8.8, and 16.0 Å for C40H20, C80H20, and C140H20) and with 1–10 hydroxyl groups at the end of the nanotube were fully optimized at the B3LYP/3-21G level, and in some cases at the B3LYP/6-31G* level, and the energy associated with the attachment of the OH substituent was determined. The OH-group attachment energy was compared with the OH functionalization of phenanthrene and picene models and with previous results for zigzag (9.0) SWCNT systems. In comparison to zigzag SWCNTs, the armchair form is more (by about 5 to 10 kcal mol−1) reactive toward hydroxylation

Solid state synthesis of carbon-encapsulated iron carbide nanoparticles and their interaction with living cells †

Superparamagnetic carbon-encapsulated iron carbide nanoparticles (NPs), Fe 7 C 3 @C, with unique properties, were produced from pure ferrocene by high pressure-high temperature synthesis. These NPs combine the merits of nanodiamonds and SPIONs but lack their shortcomings which limit their use for biomedical applications. Investigation of these NPs by X-ray diffraction, electron microscopy techniques, X-ray spectroscopic and magnetic measurement methods has demonstrated that this method of synthesis yields NPs with perfectly controllable physical properties. Using magnetic and subsequent fractional separation of magnetic NPs from residual carbon, the aqueous suspensions of Fe 7 C 3 @C NPs with an average particle size of $25 nm were prepared. The suspensions were used for in vitro studies of the interaction of Fe 7 C 3 @C NPs with cultured mammalian cells. The dynamics of interaction of the living cells with Fe 7 C 3 @C was studied by optical microscopy using time-lapse video recording and also by transmission electron microscopy. Using novel highly sensitive cytotoxicity tests based on the cell proliferation assay and long-term live cell observations it was shown that the internalization of Fe 7 C 3 @C NPs has no cytotoxic effect on cultured cells and does not interfere with the process of their mitotic division, a fundamental property that ensures the existence of living organisms. The influence of NPs on the proliferative activity of cultured cells was not detected as well. These results indicate that the carbon capsules of Fe 7 C 3 @C NPs are air-tight which could offer great opportunities for future use of these superparamagnetic NPs in biology and medicine

Modification of Oligomers and Reinforced Polymeric Composites by Carbon Nanotubes and Ultrasonic

An abridged version of the book chapter is presented in the archive. Full version on the publisher's site: https://link.springer.com/chapter/10.1007/978-3-030-26672-1_3Розглядається широке коло питань щодо розроблених напрямів модифікації епоксидних олігомерів і армованих полімерних композитів на їх основі вуглецевими нанотрубками і ультразвуком. Аналізується перспективність створення гібридних полімерних композитів функціонального призначення.This chapter analyzes the physical (in the form of ultrasound) and chemical modification of liquid polymer media and reinforced polymeric composites. The main emphasis is made on the analysis of ultrasonic cavitation processing as the most effective one for solving one of the main technological problems in the production of nanomodified polymer composites

Pore confinement effects and stabilization of carbon nitride oligomers in macroporous silica for photocatalytic hydrogen production

An ordered macroporous host (mac-SiO2) has been used to prevent aggregation of layered photocatalysts based on carbon nitride. Using typical carbon nitride synthesis conditions, cyanamide was condensed at 550 °C in the presence and absence of mac-SiO2. Condensation in the absence of mac-SiO2 results in materials with structural characteristics consistent with the carbon nitride, melon, accompanied by ca. 2 wt% carbonization. For mac-SiO2 supported materials, condensation occurs with greater carbonization (ca. 6 wt%). On addition of 3 wt% Pt cocatalyst photocatalytic hydrogen production under visible light is found to be up to 10 times greater for the supported composites. Time-resolved photoluminescence spectroscopy shows that excited state relaxation is more rapid for the mac-SiO2 supported materials suggesting faster electron-hole recombination and that supported carbon nitride does not exhibit improved charge separation. CO2 temperature programmed desorption indicates that enhanced photoactivity of supported carbon nitride is attributable to an increased surface area compared to bulk carbon nitride and an increase in the concentration of weakly basic catalytic sites, consistent with carbon nitride oligomers