相关论文: Graphene Molecule Compared With Fullerene C60 As C…

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.…

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 molecular orbital analysis predicts that pure carbon graphene molecules would play an important role on astronomically observed Diffuse Interstellar Bands (DIB), rather than fullerene. Laboratory experiments precisely coincided with…

The possible detection of C_{24}, a planar graphene, recently reported in several planetary nebulae by Garciaa-Hernandez et al. (2011, 2012) inspires us to explore whether and how much graphene could exist in the interstellar medium (ISM)…

We recently identified several emission bands in the Spitzer-IRS spectrum of the unusual planetary nebula Tc 1 with the infrared active vibrational modes of the neutral fullerene species C60 and C70. Since then, the fullerene bands have…

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…

The main goal of this thesis is to unveil some questions related to the formation of complex fullerene-based molecules in space, with the aim of resolving some key problems in astrophysics. The unexpected detections of fullerenes and…

We present a study of 16 PNe where fullerenes have been detected in their Spitzer spectra. This large sample of objects offers an unique opportunity to test conditions of fullerene formation and survival under different metallicity…

Void-defect is a possible origin of ferromagnetic feature on pure carbon materials. In our previous paper, void-defect on graphene-nanoribbon show highly polarized spin configuration. In this paper, we studied cases for graphene molecules…

Detections of C60 and C70 fullerenes in planetary nebulae (PNe) of the Magellanic Clouds and of our own Galaxy have raised the idea that other forms of carbon such as hydrogenated fullerenes (fulleranes like C60H36 and C60H18), buckyonions,…

Astronomical near-infrared Diffuse-Interstellar-Bands (DIBs) were characterized by pure carbon Fullerene and Graphene molecules comparing with laboratory experiment and with Time-Dependent Density-Functional-Theory (TD-DFT) analysis. It is…

Large fullerenes and fullerene-based molecules have been proposed as carriers of diffuse interstellar bands (DIBs). The recent detection of the most common fullerenes (C60 and C70) around some planetary nebulae (PNe) now enable us to study…

The presence of neutral C60 fullerenes in circumstellar environments has been firmly established by astronomical observations as well as laboratory experiments and quantum-chemistry calculations. However, the large variations observed in…

Astronomical infrared spectral features at ~6.6, 9.8 and 20 micronm have recently been suggested as being due to the planar graphene form of C24 carbon cluster. Here we report density functional theory and coupled cluster calculations on…

Fullerenes have been observed in several astronomical objects since the discovery of C$_{60}$ in the mid-infrared (mid-IR) spectrum of the planetary nebula (PN) Tc 1. It has been suggested that the carriers of the broad unidentified…

Recent detections of C$_{60}$, C$_{70}$, and C$_{60}^+$ in space induced extensive studies of fullerene derivatives in circumstellar environments. As the promising fullerene sources, protoplanetary nebulae (PPNe) show a number of…

Buckminsterfullerene (C60) was recently detected through its infrared emission bands in the interstellar medium (ISM), including in the proximity of massive stars, where physical conditions could favor the formation of the cationic form,…

We present high-resolution (R~15000) VLT/UVES optical spectra of two planetary nebulae (PNe; Tc 1 and M 1-20) where C60 (and C70) fullerenes have already been found. These spectra are of high-quality (S/N > 300) for PN Tc 1, which permits…

Modeling a promising carrier of the astronomically observed polycyclic aromatic hydrocarbon (PAH), infrared (IR) spectra of ionized molecules (C9H7) n+ were calculated based on density functional theory (DFT). In a previous study, it was…

Buckminsterfullerene (C60) was recently confirmed to be the largest molecule identified in space. However, it remains unclear how, and where this molecule is formed. It is generally believed that C60 is formed from the build up of small…