A redetermination of monclinic γ-sulfur

Gallacher, A. C.; Pinkerton, A. A.

doi:10.1107/s0108270192009661

Cited by 35 publications

(34 citation statements)

References 2 publications

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“…2 show the corresponding optimized precursors. "Bonds" are indicated at the figures only for those inter-atomic distances that do not differ more than 15% from an average experimentally known distance found in sulfur-organic compounds (namely, for C-S bonds this average experimental value is 1.78 Å, for C-C bonds -1.37 Å, and for S-S bonds 1.98 Å) [19][20][21][22][23].…”

Section: Precursorsmentioning

confidence: 99%

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Fullerene-like CSx: A first-principles study of synthetic growth

Goyenola

Gueorguiev

Stafström

et al. 2011

Chemical Physics Letters

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Fullerene-Like (FL) sulpho-carbide (CS x ) compounds have been addressed by first principles calculations. Geometry optimization and cohesive energy results are presented for the relative stability of precursor species such as C 2 S, CS 2 , and C 2 S 2 in isolated form.The energy cost for structural defects, arising from the substitution of C by S is also reported. Similar to previously synthesized FL-CN x and FL-CP x compounds, the pentagon, the double pentagon defects as well as the Stone-Wales defects are confirmed as energetically feasible in CS x compounds.

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Section: Precursorsmentioning

confidence: 99%

“…4c), the calculated C-S bond length values vary considerably between 1.75 Å and 2.01 Å [20]. These should be compared to 1.77 Å and 2.04 Å for the CP x analogue of this model system representing the tetragon defect [2].…”

Section: Defects In the Cs X Networkmentioning

confidence: 99%

Fullerene-like CSx: A first-principles study of synthetic growth

Goyenola

Gueorguiev

Stafström

et al. 2011

Chemical Physics Letters

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“…Due to the isotopically enriched and elemental nature of this sample, as well as the very high magnetic field strength used, we suggest that this represents a practical upper limit for 33 S C Q values measurable using currently available solid-state NMR techniques. Precluding any similar study of a pure, enriched sulfur sample of a different phase (e.g., c-sulfur, which is unstable [24]) or allotrope (e.g.,S 6 [25]), the 33 S content of any other sample will be significantly diluted even if isotopically enriched. In addition, any sample with an increased T 2 , which would allow the use of QCPMG enhancement, would be likely to also feature a much longer T 1 , necessitating the use of a longer recycle delay.…”

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confidence: 99%

Testing the sensitivity limits of 33S NMR: An ultra-wideline study of elemental sulfur

O’Dell

Moudrakovski

2010

Journal of Magnetic Resonance

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“…1) were recorded to investigate the state of the synthesized porous carbon and the sulfur in the C/S materials. Firstly, pure sulfur displays sharp diffraction peaks that agree well with the characteristic pattern of S 8 and conform to F ddd orthorhombic structure [26,27], while both the two carbon materials only show a broad diffraction peak at about 24°, indicating amorphous characteristics. One more observation is that the XRD patterns of carbon synthesized with and without Cu(Ac) 2 involvement are virtually identical, suggesting that the addition of metal salt had little effect on the graphitization degree of carbon.…”

Section: Resultsmentioning

confidence: 59%

A modified hierarchical porous carbon for lithium/sulfur batteries with improved capacity and cycling stability

Wang

Zhang

et al. 2013

J Solid State Electrochem

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A hierarchical porous carbon material as the conductive matrix in the sulfur cathode for rechargeable lithium batteries is prepared by an in situ two-step activation method using sucrose as the carbon source, CaCO 3 as the template, and (CH 3 COO) 2 Cu·H 2 O (Cu(Ac) 2 ) as the additive. The microstructure and morphology of the activated porous sulfurcarbon composite is characterized by means of X-ray diffraction, N 2 adsorption-desorption, and scanning electron microscopy. The functioning mechanism of the additive on the pore formation is investigated using thermogravimetric analysis. Our results establish that thermal decomposition of the nanoCaCO 3 template results in the formation of the hierarchical porous carbon structure, and addition of Cu(Ac) 2 influences the carbonization process in an un-homogeneous way through the copper ion-sucrose reaction, resulting in the volume increment of small mesopores. The sample obtained shows better sulfur dispersion in the active porous carbon than that synthesized without Cu(Ac) 2 involvement, which is attributable to the modified pore structure and enlarged pore volume. Thus, a better utilization of sulfur is achieved and the initial discharge capacity increases from 1,287 to 1,397 mAh g −1 . Furthermore, the Li-S battery shows improved cycle stability because of enhanced interaction between the sulfur and the small mesopore.

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A redetermination of monclinic γ-sulfur

Cited by 35 publications

References 2 publications

Fullerene-like CSx: A first-principles study of synthetic growth

Fullerene-like CSx: A first-principles study of synthetic growth

Testing the sensitivity limits of 33S NMR: An ultra-wideline study of elemental sulfur

A modified hierarchical porous carbon for lithium/sulfur batteries with improved capacity and cycling stability

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