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Showing 1 to 20 of 86 for “"fullerenes"”.
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Thermoionization and dissociation of fullerenes and endohedral fullerenes
… dissociation of energetically excited fullerenes and endohedral fullerenes are studied with mass spectrometry. Three experimental approaches have been developed for these studies. These are UV laser excitation time-of-flight mass spectrometry (TOF-MS), laser desorption and ionization …
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Quantum control of the electronic and thermal properties of Fullerenes and Exohedral Fullerenes
… materials by examining the possibility of using fullerenes and decachlorofullerenes as building blocks towards viable molecular scale devices. In particular I have looked at ways to enhance the electronic communication between fullerenes through introducing exohedral varients, which I found to …
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Synthesis and spectroscopy studies of fullerenes and discovery of macroscopic quantities of doped fullerenes
… vaporization in the furnace for production of fullerenes have been developed. The optimum conditions for the high yields of fullerenes were tested and studied. A fullerene growth model was proposed to explain the formation of the fullerenes and the extraordinary high yield of C$\sb{60}$. The …
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The Clar Structure of Fullerenes
… only of pentagonal and hexagonal faces. Fullerenes are designed to model carbon molecules. The <em>Clar number</em> and <em>Fries number</em> are two parameters that are related to the stability of carbon molecules. We introduce <em>chain decompositions</em>, a new method to find lower …
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Thermally metastable fullerenes in flames
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 1994.
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The Structure of 4-Clusters in Fullerenes
<p>Fullerenes can be considered to be either molecules of pure carbon or the trivalent plane graphs with all hexagonal and (exactly 12) pentagonal faces that models these molecules. Since carbon atoms have valence 4 and our models have valence 3, the edges of a perfect matching are doubled to bring …
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Fullerenes and carbon nanostructures formation in flames
Fullerenes are molecules comprised entirely of sp2-bonded carbon atoms arranged in pentagonal and hexagonal rings to form a hollow, closed-cage structure. Fullerenes, such as C60 and C70, are single-shell molecules, while carbon nanostructures--a larger class of structures that includes fullerenes …
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Combustion synthesis of fullerenes and fullerenic nanostructures
Fullerenes are molecules comprised entirely of sp²-bonded carbon atoms arranged in pentagonal and hexagonal rings to form a hollow, closed-cage structure. Buckyballs, a subset which contains C₆₀ and C₇₀, are single-shell molecules while fullerenic nanostructures can contain many shells and over 300 …
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Chemistry of acenes, [60]fullerenes, cyclacenes and carbon nanotubes
… the chemistries of acenes, cyclacenes, [60]fullerenes and CNTs. Acenes are well known organic semiconductors. Pentacene is a benchmark organic semiconductor due to low HOMO-LUMO gap and high charge carrier mobilities in its thin film. Its poor solubility and instability, however, limit its …
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The Chemistry of Fullerenes, Polymers, and Host/Guest Interactions
… three diverse categories: functionalization of fullerenes, investigation of host/guest interactions in solution, and the synthesis and characterization of ion containing polymers. The separation and functionalization of fullerenes is a recent and exciting area of research. The separation methods …
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Fluorine-containing fullerenes and endometallofullerenes: synthesis, structure, and spectroscopic characterization
… were performed with C60, C70, the higher hollow fullerenes C60+m (m = 14, 16, 18, 20, and 22), the endohedral metallofullerene Sc3N@C80-Ih(7), and the azafullerene dimer (C59N)2. Several efficient synthetic methods have been developed for perfluoroalkylation, which involved high-temperature …
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New Materials Based on Metallodithiolenes, Fullerenes, and Cyclopentadienyl Iron Complexes
We focused on the development of methods to functionalize a metal cluster through cyclopentadienyl (Cp) ligands. The cluster, $\rm Cp\sb4Fe\sb4(CO)\sb4,$ is prepared from the thermolysis of xylene solutions of $\rm Cp\sb2Fe\sb2(CO)\sb4$ and PPh$\sb3$ to yield primarily $\rm Cp\sb4Fe\sb4(CO)\sb4$ …
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Optical Limiting and Degenerate Four-Wave Mixing in Novel Fullerenes
… nonlinear optical properties of various novel fullerenes structures. Optical limiting refers to decreased transmittance of a material with increased incident light intensity. Detailed measurements of the wavelength-dependence of fullerene optical limiters have illustrated several key features …
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Autodocking Studies of Oxygenated Fullerenes as Inhibitors of The HIV Protease
… 1 mg/mol in the in-vitro studies. The oxygenated fullerenes were shown to have epoxide, ketones, and hydroxyl functionalities. As expected, C60 interacted with ozone with alkene functionality and not as an aromatic compound. It was postulated that C60O had epoxide functionality, as a product of …
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The functionalization of fullerenes and nanocarbon materials for photovoltaics and other applications
Fullerenes and other nanocarbon materials such as carbon nanotubes possess interesting chemical and physical properties. In this thesis, we explore various functionalization methods for nanocarbon materials and their potential applications in photovoltaics and fuel cells. Chapter 1 gives an …
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The Studies of Fullerenes and Metallofullerenes in Geometry, Electron Transfer, Chromatography and Characterization
Since their discovery, fullerenes and metallofullerenes have been investigated regarding their structures, synthesis, isolations, and applications. The highly symmetric structures of fullerenes and metallofullerenes lead to extraordinary physical properties, such as electron transfers, and attract …
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Modifying electronic and solid-state properties of fullerenes, polycyclic aromatic hydrocarbons, and perylene diimides
The growing world energy demand necessitates the development of novel, cheap, and efficient energy sources and low energy consumption electronics devices. Organic photovoltaics, transistors, and light-emitting diodes are actively being developed as replacements for traditional energy sources and …
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Modeling the self-assembly of functionalized fullerenes on solid surfaces using Monte Carlo simulations
<p>Since their discovery 25 years ago, carbon fullerenes have been widely studied for their unique physicochemical properties and for applications including organic electronics and photovoltaics. For these applications it is highly desirable for crystalline fullerene thin films to spontaneously …
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Ultrahigh Vacuum Studies of the Kinetics and Reaction Mechanisms of Ozone with Surface-Bound Fullerenes
… of the ozone oxidation of surface-bound fullerenes advances the understanding of fullerene fate in the environment, as well as the reactivity of ozone with carbonaceous nanomaterials. Recent ultrahigh vacuum studies of the reaction of gasphase ozone with surface-bound fullerenes have made …
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Molecular Self-assembly of Functionalized Pentacenes and Fullerenes on Metal Surfaces by STM and DFT Investigations
… pentacenes (6,13-dichloropentacene) and fullerenes (C60) into a layer-by-layer heterojunction on a stepped gold vicinal surface Au(788) by scanning tunneling mi- croscopy (STM) characterizations and density functional theory (DFT) calculations. Au(788) is a vicinal surface of Au(111) and …
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