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Register a new userGraphene Molecule Compared With Fullerene C60 As Circumstellar Carbon Dust Of Planetary Nebula
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Authors
Norio Ota
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It had been understood that astronomically observed infrared spectrum of carbon rich planetary nebula as like Tc 1 and Lin 49 comes from fullerene (C60). Also, it is well known that graphene is a raw material for synthesizing fullerene. This study seeks some capability of graphene based on the quantum-chemical DFT calculation. It was demonstrated that graphene plays major role rather than fullerene. We applied two astrophysical conditions, which are void creation by high speed proton and photo-ionization by the central star. Model molecule was ionized void-graphene (C23) having one carbon pentagon combined with hexagons. By molecular vibrational analysis, we could reproduce six major bands from 6 to 9 micrometer, large peak at 12.8, and largest peak at 19.0. Also, many minor bands could be reproduced from 6 to 38 micrometer. Also, deeply void induced molecules (C22) and (C21) could support observed bands.
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Magnetism of fullerene C60 was studied by three methods of the density functional theory (DFT) calculation, laboratory experiment and astronomical observation. DFT revealed that the most stable spin state was non-magnetic one of Sz=0/2. This is contrary to our recent study on void induced graphene molecules of C23 and C53 to be magnetic one of Sz=2/2. Two graphene molecules combined model suggested that two up-spin at every carbon pentagon ring may cancel each other to bring Sz=0/2. Similar cancelation may occur on C60. Molecular vibrational infrared spectrum of C60 show four major bands, which coincide with gas-phase laboratory experiment, also with astronomically observed one of carbon rich planetary nebula Tc1 and Lin49. However, there remain many unidentified bands on astronomical one. We supposed multiple voids on graphene sheet, which may create both C60 and complex graphene molecules. It was revealed that spectrum of two voids induced graphene molecule coincident well with major astronomical bands. Simple sum of C60 and graphene molecules could successfully reproduce astronomical bands in detail.
Astronomical dust molecule of carbon-rich nebula-Lin49 and nebula-Tc1 could be identified to be polycyclic-pure-carbon C23 by the quantum-chemical calculation. Two driving forces were assumed. One is high speed proton attack on coronene-C24H12, which created void-induced C23H12. Another is high energy photon irradiation, which brought deep photo-ionization and finally caused dehydrogenation to be C23. Infrared spectrum calculation show that a set of ionized C23 (neutral, mono, and di-cation) could reproduce observed many peaks of 28 bands at wavelength from 6 to 38 micrometer. Previously predicted neutral fullerene-C60 could partially reproduce observed spectrum by 5 bands. Also, we tried calculation on ionized-C60, which show fairly good coincidence with observed 10 bands
We perform a detailed analysis of the fullerene C60-containing planetary nebula (PN) SaSt2-3 to investigate the physical properties of the central star (B0-1II) and nebula based on our own Subaru/HDS spectra and multiwavelength archival data. By assessing the stellar absorption, we derive the effective temperature, surface gravity, and photospheric abundances. For the first time, we report time variability of the central stars radial velocity, strongly indicating a binary central star. Comparison between the derived elemental abundances and those predicted values by asymptotic giant branch (AGB) star nucleosynthesis models indicates that the progenitor is a star with initial mass of ~1.25 Msun and metallicity Z = 0.001/alpha-element/Cl-rich ([alpha,Cl/Fe] ~ +0.3-0.4). We determine the distance (11.33 kpc) to be consistent with the post-AGB evolution of 1.25 Msun initial mass stars with Z = 0.001. Using the photoionisation model, we fully reproduce the derived quantities by adopting a cylindrically shaped nebula. We derive the mass fraction of the C-atoms present in atomic gas, graphite grain, and C60. The highest mass fraction of C60 (~0.19%) indicates that SaSt2-3 is the C60-richest PN amongst Galactic PNe. From comparison of stellar/nebular properties with other C60 PNe, we conclude that the C60 formation depends on the central stars properties and its surrounding environment (e.g., binary disc), rather than the amount of C-atoms produced during the AGB phase.
It is well known since 2010 that fullerene C60 is widespread through the interstellar space. Also, it is well known that graphene is a source material for synthesizing fullerene. Here, we simply assume the occurrence of graphene in space. Infrared spectra of graphene molecules are calculated to compare both to astronomical observational spectra and to laboratory experimental one. Model molecules for DFT calculation are selected by one astronomical assumption, that is, single void in charge neutral graphene of C13, C24 and C54, resulting C12, C23 and C53. They have a carbon pentagon ring within a hexagon network. Different void positions are classified as different species. Single void is surrounded by 3 radical carbons, holding 6 spins. Spin state affects molecular configuration and vibrational spectrum. It was a surprise that the triplet state is stable than the singlet. Most of charge neutral and triplet spin state species show closely resembling spectra with observed one of carbon rich planetary nebulae Tc1 and Lin49. We could assign major bands at 18.9 micrometer, and sub-bands at 6.6, 7.0, 7.6, 8.1, 8.5, 9.0 and 17.4 micrometer. It is interesting that those graphene species were also assigned in the laboratory experiments on laser-induced carbon plasma, which are analogies of carbon cluster creation in space. The conclusion is that graphene molecules could potentially contribute to the infrared emission bands of carbon-rich planetary nebulae.
We report on extended investigation of the thermal transport and acoustical properties on hard carbon samples obtained by pressurization of C60 fullerene. Structural investigations performed by different techniques on the same samples indicate a very inhomogeneous structure at different scales, based on fractal-like amorphous clusters on the micrometer to submillimetre scale, which act as strong acoustic scatterers, and scarce microcrystallites on the nanometer scale. Ultrasonic experiments show a rapid increase in the attenuation with frequency, corresponding to a decrease in the localization length for vibrations. The data give evidence for a crossover from extended phonon excitations to localized fracton excitations. The thermal conductivity is characterized by a monotonous increase versus temperature, power law T^(1.4), for T ranging from 0.1 to 10 K, without any well-defined plateau, and a strictly linear-in-T variation between 20 and 300K. The latter has to be related to the linear-in-T decrease of the sound velocity between 4 and 100 K, both linear regimes being characteristic of disordered or generally aperiodic structures, which can be analysed by the phonon-fracton hopping model developed for fractal and amorphous structures.
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