Nanoporous carbon structures based on C<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>20</mml:mn></mml:msub></mml:math>

Vehviläinen, Timo; Ganchenkova, Maria; Nieminen, Risto M.

doi:10.1103/physrevb.84.125444

Cited by 8 publications

(7 citation statements)

References 44 publications

(64 reference statements)

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“…H-atoms and protons are certainly among the atomic particles that can most easily go through the cage surface of fullerenes in both directions. The most recent theoretical discussion of the interaction energy between H and C 60 seems to be that of Vehvilainen et al (2011), who summarizes previous works. The lowest value of the energy barrier preventing H atoms entering or getting out the cage is found to be only about 2.5-3 eV.…”

Section: Interstellar H 2 @C 60 ?mentioning

confidence: 99%

“…Detailed studies illustrate the spectacular consequences of the confinement of the H 2 molecule (see e.g. the review by Vehvilainen et al 2011), including, for example, infrared spectroscopy (Mamone et al 2009(Mamone et al , 2011Ge et al 2011), inelastic neutron scattering (Vehvilainen et al 2011), and NMR studies (Murata et al 2006;Turro et al 2010).…”

Section: H 2 @C 60 In the Laboratorymentioning

confidence: 99%

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Interstellar fullerene compounds and diffuse interstellar bands

Omont

2016

A&A

103

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Recently, the presence of fullerenes in the interstellar medium (ISM) has been confirmed and new findings suggest that these fullerenes may possibly form from polycyclic aromatic hydrocarbons (PAHs) in the ISM. Moreover, the first confirmed identification of two strong diffuse interstellar bands (DIBs) with the fullerene, C + 60 , connects the long standing suggestion that various fullerenes could be DIB carriers. These new discoveries justify reassessing the overall importance of interstellar fullerene compounds, including fullerenes of various sizes with endohedral or exohedral inclusions and heterofullerenes (EEHFs). The phenomenology of fullerene compounds is complex. In addition to fullerene formation in grain shattering, fullerene formation from fully dehydrogenated PAHs in diffuse interstellar clouds could perhaps transform a significant percentage of the tail of low-mass PAH distribution into fullerenes including EEHFs. But many uncertain processes make it extremely difficult to assess their expected abundance, composition and size distribution, except for the substantial abundance measured for C + 60 . EEHFs share many properties with pure fullerenes, such as C 60 , as regards stability, formation/destruction and chemical processes, as well as many basic spectral features. Because DIBs are ubiquitous in all lines of sight in the ISM, we address several questions about the interstellar importance of various EEHFs, especially as possible carriers of diffuse interstellar bands. Specifically, we discuss basic interstellar properties and the likely contributions of fullerenes of various sizes and their charged counterparts such as C + 60 , and then in turn: 1) metallofullerenes; 2) heterofullerenes; 3) fulleranes; 4) fullerene-PAH compounds; 5) H 2 @C 60 . From this reassessment of the literature and from combining it with known DIB line identifications, we conclude that the general landscape of interstellar fullerene compounds is probably much richer than heretofore realized. EEHFs, together with pure fullerenes of various sizes, have many properties necessary to be suitably carriers of DIBs: carbonaceous nature; stability and resilience in the harsh conditions of the ISM; existing with various heteroatoms and ionization states; relatively easy formation; few stable isomers; spectral lines in the right spectral range; various and complex energy internal conversion; rich Jahn-Teller fine structure. This is supported by the first identification of a DIB carrier as C + 60 . Unfortunately, the lack of any precise information about the complex optical spectra of EEHFs and most pure fullerenes other than C 60 and about their interstellar abundances still precludes definitive assessment of the importance of fullerene compounds as DIB carriers. Their compounds could significantly contribute to DIBs, but it still seems difficult that they are the only important DIB carriers. Regardless, DIBs appear as the most promising way of tracing the interstellar abundances of various fullerene compounds if the breakthr...

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Section: Interstellar H 2 @C 60 ?mentioning

confidence: 99%

Section: H 2 @C 60 In the Laboratorymentioning

confidence: 99%

Interstellar fullerene compounds and diffuse interstellar bands

Omont

2016

A&A

103

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“…[82][83][84][85][86][87][88][89][90][91][92][93] Since the discovery of the C 60 fullerene, various similar carbon clusters have been discovered, especially the small ones that act as the building blocks of the large ones. [94][95][96] The cage isomer of C 20 (cf. Fig.…”

Section: Computational Details Results and Discussionmentioning

confidence: 99%

Implementation of a Parallel Linear-Response Coupled-Cluster-Theory Module in ACES III

Perera

Morales

2016

Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B

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“…Thus, the hydride would retain the thermodynamic parameters and kinetic behavior associated with the hydrogenation/rehydrogenation of the nanomaterial rather than reverting to the standard bulk material when cycled. Several nanoporous scaffold-confined hydrogen storage materials have been reported so far, and most of them are carbonaceous structures, including active carbon fibers [11], carbon aerogels [12], and even C 20 -and C 60 -based solids [13]. On the other hand, in the ammonia borane case, Gutowska et al [14] have developed a way to deposit the active material within the channels of mesoporous silica (i.e., .…”

Section: Introductionmentioning

confidence: 98%