Applications of Fullerene Material

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Inorganic Crystalline Materials".

Deadline for manuscript submissions: closed (31 July 2022) | Viewed by 8262

Special Issue Editor


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Guest Editor
Graduate School of Science and Engineering, Toyo University, Tokyo 112-0001, Japan
Interests: nanomaterials; nanoprocess

Special Issue Information

Dear Colleagues,

C60 and the fullerene family, e.g., C70, endohedral fullerenes, and fullerene derivatives, are expected to be applied in a wide range of fields, such as electronic devices, energy, the environment, and medical care, owing to their unique properties. For example, endohedral fullerenes and fullerene derivatives has always accompanied next-generation technology, as can be seen from their functionality at atomic or molecular levels using their nanospace or chemical combination. Especially in endohedral metallofullerenes, electron transfer occurs from the encapsulated species to fullerenes, so physical characteristics, functions, and reactivity different from those of empty fullerenes are expected. Many types of fullerenes are made in a variety of ways and have already been applied, including those in the realms of energy/environment, electronics/mechanics, bio/food, and medical treatment. To be used more, from the viewpoint of crystallography and engineering applications, it is extremely important to design, synthesize, and elucidate supramolecular fullerene architectures. Targeting all kinds of endohedral fullerenes, we accept a wide range of papers related to structure determination and application of fullerenes. Please submit your latest research results.

Dr. Yoshikazu Yoshida
Guest Editor

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Keywords

  • endohedral fullerene
  • fullerene derivative
  • synthesis
  • extraction
  • separation
  • purification
  • nanostructure control
  • nanomedicine
  • nanoelectronics
  • nanoscale magnet

Published Papers (4 papers)

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Research

17 pages, 3220 KiB  
Article
Methodological Investigation for Hydrogen Addition to Small Cage Carbon Fullerenes
by Yuri Tanuma, Toru Maekawa and Chris Ewels
Crystals 2021, 11(11), 1334; https://doi.org/10.3390/cryst11111334 - 01 Nov 2021
Cited by 3 | Viewed by 2028
Abstract
Hydrogenated small fullerenes (Cn, n < 60) are of interest as potential astrochemical species, and as intermediates in hydrogen-catalysed fullerene growth. However, the computational identification of key stable species is difficult due to the vast configurationally space of structures. In this [...] Read more.
Hydrogenated small fullerenes (Cn, n < 60) are of interest as potential astrochemical species, and as intermediates in hydrogen-catalysed fullerene growth. However, the computational identification of key stable species is difficult due to the vast configurationally space of structures. In this study, we explored routes to predict stable hydrogenated small fullerenes. We showed that neither local fullerene geometry nor local electronic structure analysis was able to correctly predict subsequent low-energy hydrogenation sites, and sequential stable addition searches also sometimes failed to identify most stable hydrogenated fullerene isomers. Of the empirical and semi-empirical methods tested, GFN2-xTB consistently gave highly accurate energy correlations (r > 0.99) to full DFT-LDA calculations at a fraction of the computational cost. This allowed identification of the most stable hydrogenated fullerenes up to 4H for four fullerenes, namely two isomers of C28 and C40, via “brute force” systematic testing of all symmetry-inequivalent combinations. The approach shows promise for wider systematic studies of smaller hydrogenated fullerenes. Full article
(This article belongs to the Special Issue Applications of Fullerene Material)
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10 pages, 1978 KiB  
Article
Producing Iron Endohedral Fullerene on Electron Cyclotron Resonance Ion Source
by Yushi Kato, Takayuki Omori, Issei Owada, Wataru Kubo, Shuhei Harisaki, Koichi Sato, Kazuki Tsuda, Takumu Maenaka, Masahiro Anan, Masayuki Muramatsu, Atsushi Kitagawa and Yoshikazu Yoshida
Crystals 2021, 11(10), 1249; https://doi.org/10.3390/cryst11101249 - 15 Oct 2021
Viewed by 1463
Abstract
An electron cyclotron resonance (ECR) ion source (ECRIS) can generate an available amount of multicharged ions, thus it is not limited for use in the field of accelerator science, but also in medical/biological fields, such as for heavy ion beam cancer treatment and [...] Read more.
An electron cyclotron resonance (ECR) ion source (ECRIS) can generate an available amount of multicharged ions, thus it is not limited for use in the field of accelerator science, but also in medical/biological fields, such as for heavy ion beam cancer treatment and ion engines. The processes of generating multicharged ions are mainly sequential collisions of a direct ionization process by electrons, and have good ion confinement characteristics. By utilizing this confinement property, we have synthesized iron-encapsulated fullerenes, which are supramolecular and can be expected to have various high functions. Fullerenes and iron ions are vaporized from pure solid materials and introduced into the ECRIS together with the support gas. We investigated conditions under which fullerene ions do not dissociate and iron ions are generated so that both can coexist. Generated ions are extracted from the ECRIS and separated by mass/charge with a dipole magnet, and detected with a Faraday cup. This measurement system is characterized by a wide dynamic range. The charge-state distribution (CSD) of ion currents was measured to investigate the optimum conditions for supramolecular synthesis. As a result, a significant spectrum suggesting the possibility of iron-encapsulated fullerenes was obtained. This paper describes the details of these experimental results. Full article
(This article belongs to the Special Issue Applications of Fullerene Material)
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7 pages, 326 KiB  
Communication
Synthesis and Spectroscopy of Buckminsterfullerene Cation C60+ in a Cryogenic Ion Trapping Instrument
by Ewen K. Campbell, Johanna Rademacher and Saida M. M. Bana
Crystals 2021, 11(9), 1119; https://doi.org/10.3390/cryst11091119 - 14 Sep 2021
Cited by 3 | Viewed by 2039
Abstract
The assignment of several diffuse interstellar bands in the near-infrared to C60+ ions present at high abundance in space has renewed interest in the astrochemical importance of fullerenes and analogues. Many of the latter have not been produced in macroscopic quantities, [...] Read more.
The assignment of several diffuse interstellar bands in the near-infrared to C60+ ions present at high abundance in space has renewed interest in the astrochemical importance of fullerenes and analogues. Many of the latter have not been produced in macroscopic quantities, and their spectroscopic properties are not available for comparison with astronomical observations. An apparatus has been constructed that combines laser vaporisation synthesis with spectroscopic characterisation at low temperature in a cryogenic trap. This instrument is used here to record the electronic absorptions of C60+ produced by laser vaporisation of graphite. These are detected by (helium tagged) messenger spectroscopy in a cryogenic trap. By comparison with spectra obtained using a sublimed sample of Buckminsterfullerene, the observed data show that this isomer is the dominant C60+ structure tagged with helium at m/z=724, indicating that the adopted approach can be used to access the spectra of other fullerenes and derivatives of astrochemical interest. Full article
(This article belongs to the Special Issue Applications of Fullerene Material)
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13 pages, 1979 KiB  
Article
Determination of New IR and UV/VIS Spectroscopic Parameters of the C84-D2:22 Isomer for Its Quantitative Assessment, Identification and Possible Applications
by Tamara Jovanović
Crystals 2021, 11(7), 757; https://doi.org/10.3390/cryst11070757 - 28 Jun 2021
Viewed by 1545
Abstract
The stable isomers of the higher fullerenes C76-D2 and C84-D2:22, as well as fullerenes C60 and C70 were isolated from carbon soot by the new and improved extraction and chromatographic methods and processes. Characterizations [...] Read more.
The stable isomers of the higher fullerenes C76-D2 and C84-D2:22, as well as fullerenes C60 and C70 were isolated from carbon soot by the new and improved extraction and chromatographic methods and processes. Characterizations of the C84-D2:22 isomer in this study were performed by infrared and electronic absorption spectroscopy. All of the experimentally observed IR and UV/VIS bands were in excellent agreement with the semi-empirical, DFT and TB potential theoretical calculations for this molecule. The molar extinction coefficients and the integrated molar extinction coefficients of the observed larger number of completely separated infrared absorption maxima and shoulders of fullerene C84-D2:22, as well as of its main convoluted maxima, in different and new relevant entire integration ranges, including neighboring, and all surrounding absorption shoulders were determined and their relative intensities compared. In addition, the molar absorptivity of the electronic absorption bands of this carbon cluster was found. The new IR and UV/VIS spectroscopic parameters that are significant for the quantitative determination, identification and numerous possible applications of C84-D2:22 are obtained and their changes compared to C76-D2 observed. Isolated and characterized C84-D2:22, as well as other fullerenes from this research can be used in electronic, optical, chemical and biomedical devices, superconductors, semiconductors, batteries, catalysts, polymers, sensors, solar cells, nanophotonic lenses with better optical transmission, refraction and wettability, diagnostic and therapeutic pharmaceutical substances, such as those against diabetes, cancer, neurodegenerative disorders, free radical scavenging, radio nuclear, antibacterial and antiviral agents that can inhibit HIV 1, HSV, COVID-19, influenza, malaria and so forth. Full article
(This article belongs to the Special Issue Applications of Fullerene Material)
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