First-principles studies on pure and doped C<sub>32</sub>clusters

Sun, Qiang; Wang, Qian; Yu, Jiangying; Ohno, Kaoru

doi:10.1088/0953-8984/13/9/315

Cited by 21 publications

(15 citation statements)

References 50 publications

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“…1d. Interestingly, single H 24 or H 32 cages share a structural similarity with the C/Si 24 [56,57] or C 32 [58] clusters that have been proposed theoretically for IVA group elements. In those cases C-C/Si-Si forms sp 3 hybridized bonds, in contrast to H-H bonding which lacks p orbitals.…”

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confidence: 92%

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

et al. 2017

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Room-temperature superconductivity has been a long-held dream and an area of intensive research. Recent experimental findings of superconductivity at 200 K in highly compressed hydrogen (H) sulfides have demonstrated the potential for achieving room-temperature superconductivity in compressed H-rich materials. We report first-principles structure searches for stable H-rich clathrate structures in rare earth hydrides at high pressures. The peculiarity of these structures lies in the emergence of unusual H cages with stoichiometries H_{24}, H_{29}, and H_{32}, in which H atoms are weakly covalently bonded to one another, with rare earth atoms occupying the centers of the cages. We have found that high-temperature superconductivity is closely associated with H clathrate structures, with large H-derived electronic densities of states at the Fermi level and strong electron-phonon coupling related to the stretching and rocking motions of H atoms within the cages. Strikingly, a yttrium (Y) H_{32} clathrate structure of stoichiometry YH_{10} is predicted to be a potential room-temperature superconductor with an estimated T_{c} of up to 303 K at 400 GPa, as derived by direct solution of the Eliashberg equation.

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confidence: 92%

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

et al. 2017

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“…Similarly, fullerenes have also been synthesized from small diameter C20 to giant C266 [15][16][17][18][19][20]. The fullerenes smaller than C60 have been reported in the gas phase experiments due to their higher chemical reactivity [21][22][23][24][25][26][27][28][29][30][31][32][33]. C36 has been predicted as one of the magic number small fullerene detected by mass spectroscopy.…”

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confidence: 99%

Electronic and magnetic properties of small fullerene carbon nanobuds: A DFT study

Sharma

Kaur

Sharma

et al. 2018

Mater. Res. Express

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The electronic and magnetic properties of carbon nanobuds have been investigated using density functional theory. The carbon nanobuds are formed by attaching smaller fullerenes (C20, C28, C36 and C40) of variable size with (5,5) ACNT and (5,0) ZCNT. Fullerenes interact strongly with CNT surface having binding energies within the range -0.93eV to -4.06eV. The C-C bond lengths near the attachment region increase from the original C-C bond lengths. The relative stabilities of the nanobuds are closely related to C-C bond lengths and bond angles in cycloaddition reaction. Nanobuds formed by bond cycloaddition are energetically most favorable amongst all cycloadditions. The electronic and magnetic properties of nanobuds depend strongly on electronic properties of its building blocks. The attachment of C20 and C40 on CNTs open up the HOMO-LUMO gaps of nanobuds whereas C28 and C36 results in addition of impurity states near the Fermi level. The total magnetic moment of nanobuds vary from 0.28µB to 4.00µB which depend on the nature of bonding between fullerene and CNTs. The results outline the potential of nanobuds as hybrid carbon nanostructures and how their properties can be tuned with the size and type of fullerene attached.

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“…1) were obtained and checked from references as listed in Table I (Refs. 15–27). However, there is usually more than one ground‐state structure for a fullerene as reported in previous work.…”

Section: Resultsmentioning

confidence: 99%

Resuscitation and recovery from acute right ventricular failure using a percutaneous right ventricular assist device

Atiemo

Conte

Heldman

2006

Cathet Cardio Intervent

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A number of techniques have been proposed for circulatory support in patients with severe right heart failure. We report on a patient with right ventricular (RV) infarction complicated by cardiogenic shock, who was resuscitated by the novel use of a percutaneous right ventricular assist device. The moribund patient had striking hemodynamic and clinical improvement after placement of a right atrial to pulmonary artery assist circuit. RV decompression for 3 days was accompanied by recovery of contractile function, and the patient was successfully weaned from the device. Future trials are needed to assess the effectiveness of the percutaneous ventricular assist device in patients with RV failure.

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First-principles studies on pure and doped C₃₂clusters

Cited by 21 publications

References 50 publications

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

Electronic and magnetic properties of small fullerene carbon nanobuds: A DFT study

Resuscitation and recovery from acute right ventricular failure using a percutaneous right ventricular assist device

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First-principles studies on pure and doped C32clusters

Cited by 21 publications

References 50 publications

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity

Electronic and magnetic properties of small fullerene carbon nanobuds: A DFT study

Resuscitation and recovery from acute right ventricular failure using a percutaneous right ventricular assist device

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First-principles studies on pure and doped C₃₂clusters