Vibrational properties of carbon nanotubes and graphite
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چکیده
List of publications The dependence on excitation energy of the D-mode in graphite and carbon nanotubes
منابع مشابه
Raman Scattering in Carbon Nanotubes
The vibrational properties of single-walled carbon nanotubes reflect the electron and phonon confinement as well as the cylindrical geometry of the tubes. Raman scattering is one of the prime techniques for studying the fundamental properties of carbon tubes and nanotube characterization. The most important phonon for sample characterization is the radial-breathing mode, an in-phase radial move...
متن کاملEnergy dispersion in graphene and carbon nanotubes and molecular encapsulation in nanotubes
Density-functional calculations of electronic and vibrational dispersion energies for pristine graphite monolayer graphene and single-walled carbon nanotubes SWCNTs are presented. Optimized parameters for nonlocal norm-preserving pseudopotentials which replace the potential field due to core electrons are given. Comparison with observations, where available, is made. The effect of encapsulation...
متن کاملBody-centered tetragonal C4: a viable sp3 carbon allotrope.
We have investigated by first principles the electronic, vibrational, and structural properties of bct C4, a new form of crystalline sp{3} carbon recently found in molecular dynamics simulations of carbon nanotubes under pressure. This phase is transparent, dynamically stable at zero pressure, and more stable than graphite beyond 18.6 GPa. Coexistence of bct C4 with M carbon can explain better ...
متن کاملVibrational Spectroscopy of C60
The fullerene era was started in 1985 with the discovery of the stable C60 cluster and its interpretation as a cage structure with the familiar shape of a soccer ball [1]. An explosive growth in fullerene research was triggered in 1990 by the development of a method to produce fullerenes in bulk quantities [2]. Subsequently, the structural, electronic, and vibrational properties of many fullere...
متن کاملStructural, vibrational and thermodynamic properties of carbon allotropes from first-principles: diamond, graphite, and nanotubes
The structural, dynamical, and thermodynamic properties of different carbon allotropes are computed using a combination of ab-initio methods: density-functional theory for total-energy calculations and density-functional perturbation theory for lattice dynamics. For diamond, graphite, graphene, and armchair or zigzag singlewalled nanotubes we first calculate the ground-state properties: lattice...
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تاریخ انتشار 2004