A new carbon solid made of the world's smallest caged fullerene C20

Wang, Zhenxia; Ke, Xuezhi; Zhu, Zhiyuan; Zhu, Fayan; Ruan, Meiling; Chen, Hong; Huang, Rong‐Bin; Zheng, Lan‐Sun

doi:10.1016/s0375-9601(00)00847-1

Cited by 103 publications

(55 citation statements)

References 13 publications

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“…Solids based on C 20 have been considered as superconductivity candidates. [13] Like C 36 , whose macroscopic solid-state synthesis has been claimed, [14] [15] C 20 cages appeared to serve as building blocks in the hexagonal crystals that formed. [15] Computations show that C 20 cages can condense in different ways; such materials under carrier doping are superconductor candidates.…”

Section: Introductionmentioning

confidence: 93%

“…[13] Like C 36 , whose macroscopic solid-state synthesis has been claimed, [14] [15] C 20 cages appeared to serve as building blocks in the hexagonal crystals that formed. [15] Computations show that C 20 cages can condense in different ways; such materials under carrier doping are superconductor candidates. [16] Furthermore, (C 20 ) þ k oligomers (k = 1±13), formed by coalescence of C 20 cages, have been identified experimentally.…”

Section: Introductionmentioning

confidence: 93%

“…Extrapolation of the above approach to a fully saturated bcc structure with [2+2] bridges in each spatial direction for every C 20 unit was unsuccessful. In the recently described hexagonal crystal, [15] C 20 units act as building blocks. The intermolecular bond length is about 1.5 ä, as expected from strong, covalent bonding.…”

Section: Structurementioning

confidence: 99%

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Theoretical Studies on the Smallest Fullerene: from Monomer to Oligomers and Solid States

Chen

Heine

Jiao

et al. 2004

Chemistry A European J

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Hybrid B3LYP and density-functional-based tight-binding (DFTB) computations on the solid-state structures and electronic properties of the C(20) fullerene monomer and oligomers are reported. C(20) cages with C(2), C(2h), C(i), D(3d), and D(2h) symmetries have similar energies and geometries. Release of the very high C(20) strain is, in theory, responsible for the ready oligomerization and the formation of different solid phases. Open [2+2] bonding is preferred both in the oligomers and in the infinite one-dimensional solids; the latter may exhibit metallic character. Two types of three-dimensional solids, the open [2+2] simple cubic and the body-centered cubic (bcc) forms, are proposed. The energy of the latter is lower due to the better oligomer bonding. The open [2+2] simple cubic solid should be a conductor, whereas the bcc solids are insulators. The most stable three-dimensional solid-state structure, an anisotropically compressed form of the bcc solid, has a HOMO-LUMO gap of approximately 2 eV and a larger binding energy than that of the proposed C(36) solid.

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Section: Introductionmentioning

confidence: 93%

Section: Introductionmentioning

confidence: 93%

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Theoretical Studies on the Smallest Fullerene: from Monomer to Oligomers and Solid States

Chen

Heine

Jiao

et al. 2004

Chemistry A European J

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“…However, so far, there have been only two succesfull attempts where three-dimensional C 20 -based solid has been experimentally produced. [15][16][17] In Ref. 15, based on the comparison of computational and experimental Raman and IR spectra, Iqbal et al have shown that the best fit to the experimental data is demonstrated by a face-centered cubic C 22 structure, where C 20 molecules are located on face-centered cubic lattice sites and are bound by two additional C atoms.…”

Section: Introductionmentioning

confidence: 99%

“…15, based on the comparison of computational and experimental Raman and IR spectra, Iqbal et al have shown that the best fit to the experimental data is demonstrated by a face-centered cubic C 22 structure, where C 20 molecules are located on face-centered cubic lattice sites and are bound by two additional C atoms. Whereas Wang et al 17 managed to synthesize a small amount of hexagonal C 20 solid using ion beam irradiation method. According to computational studies, other stable 3D solid structures might exist, including simple cubic (sc), 5,18,19 face-centered cubic (fcc), 18,19 and body-centered cubic (bcc) [18][19][20] phases.…”

Section: Introductionmentioning

confidence: 99%

Nanoporous carbon structures based on C20

2011

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In this paper, we present computational results for C 20 based solids. We propose structures that are shown to be energetically more favorable and stable than previously suggested structures. The so-called quasigraphite phase and base-centered-monoclinic type structures are found to be the energetically most favorable. The moleculardynamics stability of suggested structures was studied via constant-temperature and constant-pressure techniques and by examining phonon dispersion curves. All the predicted structures demonstrate high stability with respect to temperature and external load. By changing the geometry, the electronic properties can be varied from metallic to insulating.

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Nanotechnology

Milev¹,

Kannangara²,

Wilson³

2005

Kirk-Othmer Encyclopedia of Chemical Technology

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Along with genetic engineering, nanotechnology appears to be the other big growth area of this century. Nanotechnology means building useful things at the 10 −9 m level. Nanotechnology is not synonymous with chemistry, since it is more specific and concerned with observing atoms and molecules and manipulating them through visual observation at the nanoscale level. However, it may eventually encompass all of chemistry and a large part of physics and molecular biology. Feynman’s and Drexler’s definitions now define the field of molecular nanotechnology, which is sometimes also called molecular manufacturing. The latter is a poor description, since it is synonymous with synthetic chemistry. Other terms, such as molecular engineering, have also been used, but these terms have also broadened to include manipulating larger than atomic entities and the ability to design and manufacture materials and devices that are tens or hundreds of atoms across. Once material sizes are reduced below 100 nm, they begin demonstrating an array of unique properties based on quantum mechanical effects, rather than the familiar Newtonian mechanics that operate in the macroscopic scale. There are two fundamental strategies used to produce very small machines or devices. The “top‐down” approach takes a chunk of material and by physical methods carves out the desired nanostructure. The “bottom‐up” approach is the most promising since increasingly complex structures are intentionally assembled from nanoscale components to build larger scale devices. This article provides a short overview of current nanotechnology with special emphasis on fullerene and carbon nanotube properties and applications that have been pursued during the past decade. Development in covalent and non covalent fullerene and carbon nanotube functionalization led to the preparation of new supramolecular architectures such as electron acceptors for photo induced energy transfer. These molecular structures feature marked properties as a consequence of the existence of the fullerene or carbon nanotube components. A review of efficient ways on the organic functionalization of fullerenes and carbon nanotubes is also provided. Langmuir‐Blodgett and self assembly are two commonly used techniques for organizing functionalized fullerenes and nanotubes in highly ordred thin films. Characterization techniques for these films are briefly presented.

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A new carbon solid made of the world's smallest caged fullerene C20

Cited by 103 publications

References 13 publications

Theoretical Studies on the Smallest Fullerene: from Monomer to Oligomers and Solid States

Theoretical Studies on the Smallest Fullerene: from Monomer to Oligomers and Solid States

Nanoporous carbon structures based on C20

Nanotechnology

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