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Fullerene
About: Fullerene is a research topic. Over the lifetime, 12723 publications have been published within this topic receiving 359173 citations.
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TL;DR: In this article, the morphology of multiple-shell fullerenes is investigated by ab initio calculations using Yang's O(N) method, and it is found that for large single-shell femtoseconds, the spherical morphology has lower energy than that of polyhedrons.
Abstract: The morphology of multiple-shell fullerenes is investigated by ab initio calculations using Yang's O(N) method. It is found that for large single-shell fullerenes with ${\mathit{I}}_{\mathit{h}}$ symmetry, the spherical morphology has lower energy than that of polyhedrons. The formation energy per atom follows a simple scaling law. Including an estimate of intershell van de Waals interactions leads to the conclusion that spherical multiple-shell fullerenes are likely the most stable structure of large carbon clusters. These results are in good agreement with recent experiments.
97 citations
TL;DR: The water-induced interactions between nanoparticles were found to be repulsive and, in contrast to the wetting behavior, were observed to exhibit strong dependence on surface curvature.
Abstract: Molecular dynamics simulations were carried out in order to study the hydration of C60 fullerenes, carbon nanotubes, and graphene sheets in aqueous solution and the nature of water-induced interactions between these carbon nanoparticles. The hydration of these nonpolar carbon nanoparticles does not exhibit classical hydrophobic character due to the high density of surface atoms (carbon) resulting in strong water−surface dispersion interactions. Water was found to wet the nanoparticle surfaces independent of nanoparticle surface curvature, with the decrease in the extent of water−water hydrogen bonding with decreasing surface curvature being offset by stronger water−surface interactions. While all carbon nanoparticles investigated are anticipated to aggregate in water due to strong direct nanoparticle−nanoparticle interactions, the water-induced interactions between nanoparticles were found to be repulsive and, in contrast to the wetting behavior, were observed to exhibit strong dependence on surface curva...
97 citations
TL;DR: In this paper, the authors describe some of the key early mass spectrometric studies of gas-phase carbon clusters, which served as a prelude to the Huffman-Kratschmer discovery as well as some recent investigations of fullerene properties in the gas phase.
Abstract: The purpose of this account is to describe some of the key, early mass spectrometric studies of gas-phase carbon clusters, which served as a prelude to the Huffman-Kratschmer discovery as well as some of the more recent investigations of fullerene properties in the gas phase. The authors concentrate on analytical investigations of fullerene structure and chemistry as studied by mass spectrometry.
97 citations
TL;DR: Novel structures due to a highly localized perturbation caused by the presence of adsorbed fluorine were produced in the intercalation process and investigated and photoemission spectroscopy is used to confirm these electronic and structural changes.
Abstract: We demonstrated a novel method to obtain charge neutral quasi-free-standing graphene on SiC (0001) from the buffer layer using fluorine from a molecular source, fluorinated fullerene (C60F48). The intercalated product is stable under ambient conditions and resistant to elevated temperatures of up to 1200 °C. Scanning tunneling microscopy and spectroscopy measurements are performed for the first time on such quasi-free-standing graphene to elucidate changes in the electronic and structural properties of both the graphene and interfacial layer. Novel structures due to a highly localized perturbation caused by the presence of adsorbed fluorine were produced in the intercalation process and investigated. Photoemission spectroscopy is used to confirm these electronic and structural changes.
97 citations
TL;DR: In this article, the authors presented ten new Spitzer detections of fullerenes in Magellanic Cloud Planetary Nebulae, including the first extragalactic detection of the C70 molecule.
Abstract: We present ten new Spitzer detections of fullerenes in Magellanic Cloud Planetary Nebulae, including the first extragalactic detections of the C70 molecule. These new fullerene detections together with the most recent laboratory data permit us to report an accurate determination of the C60 and C70 abundances in space. Also, we report evidence for the possible detection of planar C24 in some of our fullerene sources, as indicated by the detection of very unusual emission features coincident with the strongest transitions of this molecule at ~6.6, 9.8, and 20 um. The infrared spectra display a complex mix of aliphatic and aromatic species such as hydrogenated amorphous carbon grains (HACs), PAH clusters, fullerenes, and small dehydrogenated carbon clusters (possible planar C24). The coexistence of such a variety of molecular species supports the idea that fullerenes are formed from the decomposition of HACs. We propose that fullerenes are formed from the destruction of HACs, possibly as a consequence of shocks driven by the fast stellar winds, which can sometimes be very strong in transition sources and young PNe. This is supported by the fact that many of our fullerene-detected PNe show altered [NeIII]/[NeII] ratios suggestive of shocks as well as P-Cygni profiles in their UV lines indicative of recently enhanced mass loss.
97 citations