Despite the advanced stage of diamond thin-film technology, with applications ranging from superconductivity to biosensing, the realization of a stable and atomically thick two-dimensional diamond material, named here as diamondene, is still forthcoming. Adding to the outstanding properties of its bulk and thin-film counterparts, diamondene is predicted to be a ferromagnetic semiconductor with spin polarized bands. Here, we provide spectroscopic evidence for the formation of diamondene by performing Raman spectroscopy of double-layer graphene under high pressure. The results are explained in terms of a breakdown in the Kohn anomaly associated with the finite size of the remaining graphene sites surrounded by the diamondene matrix. Ab initio calculations and molecular dynamics simulations are employed to clarify the mechanism of diamondene formation, which requires two or more layers of graphene subjected to high pressures in the presence of specific chemical groups such as hydroxyl groups or hydrogens.
A high-pressure resonance Raman spectroscopy study of linear carbon chains encapsulated inside multiwalled carbon nanotubes (MWCNTs) is reported. While the frequencies of the tangential modes of carbon nanotubes (G band) harden as the pressure increases, the vibrational frequencies of the chain modes (around 1850 cm −1 ) decrease, thus indicating a softening of the carbon−carbon bonds in this 1D solid. Pressure-induced irreversible structural changes in the linear carbon chains are unveiled by the red shift in the vibrational modes when pressure is released. These results have been interpreted as being due to a coalescence of carbon chains, and this hypothesis is supported by state-of-the-art atomistic reactive molecular dynamics simulations.
Single-walled carbon nanotubes (SWCNTs) suspensions in aqueous solutions of sodium dodecyl sulfate (SDS) and saturated fatty acids (Cn) are studied. The quality of the dispersions is analyzed by photoluminescence spectroscopy (PL) as a function of the Cn chain length. Resonant Raman scattering (RRS) measurements and molecular dynamics (MD) simulations were also carried out in order to study the effect of the surrounding medium on SWCNTs properties in suspensions. Both PL and RRS data indicate an increased individualization of SWCNTs in the dispersions for Cn's having an alkyl chain longer than SDS. MD simulations showed the formation of mixed Cn-SDS aggregates around a nanotube in water and a Cn binding energy to the nanotube wall that increases linearly with chain length. The enhanced solubilization of SWCNTs is thus interpreted in terms of the reduced electrostatic repulsion within the surfactant aggregates and the increased binding energy to the nanotube wall. Powders prepared by the evaporation of dispersions of Cn's and SWCNT bundles in ethanol were also studied by RRS in the radial breathing mode (RBM) frequency range. All the measured RBM frequencies exhibit a blue-shift (Δω) with respect to the values obtained for pristine SWCNT powders. Remarkably, nanotubes with diameters smaller than 1.0 nm show Δω in the range 2.5−4.5 cm −1 while those having diameters larger than 1.0 nm exhibit Δω in the range 6.5−8.0 cm −1 . MD simulations showed that large diameter nanotubes encapsulate Cn's into their cores, thus justifying the increased hardening of the RBM mode.
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