2017
DOI: 10.1039/c7ta01006k
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Understanding the role of lithium sulfide clusters in lithium–sulfur batteries

Abstract: Our results represent a significant step towards understanding the structures and stabilities of lithium sulfide clusters, and improving the performance of Li–S batteries.

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Cited by 45 publications
(41 citation statements)
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“…Similar results have also been observed for higher order Li polysulfides in Li-S batteries. 66 On a closer observation, we find that all the S atoms in these Al polysulfides. This could be one of reasons for the irreversibility observed in the charging process in Al-S batteries, which involves conversion of lower order to higher order Al 2 S x .…”
Section: Computational Detailsmentioning
confidence: 62%
“…Similar results have also been observed for higher order Li polysulfides in Li-S batteries. 66 On a closer observation, we find that all the S atoms in these Al polysulfides. This could be one of reasons for the irreversibility observed in the charging process in Al-S batteries, which involves conversion of lower order to higher order Al 2 S x .…”
Section: Computational Detailsmentioning
confidence: 62%
“…[36] As the anode is discharged to lower potential, the CTS NPs dissociate further and upon the total discharge to 0.01 V, the sharp peaks of Li x Sn, Li 2 S and Cu metal which is a buffer matrix imply the total conversion of the material. [37,38] The XPS data for the fully discharged (Li-incorporated) CTS electrode are shown in Figure 6. The electrolyte dissociates into ROLi, HCO 2 Li and also S=O and SÀ O components along with the CÀ C, CÀ H, CÀ F and CÀ O groups.…”
Section: Resultsmentioning
confidence: 99%
“…The electrolyte dissociates into ROLi, HCO 2 Li and also S=O and SÀ O components along with the CÀ C, CÀ H, CÀ F and CÀ O groups. [37,38] The XPS data for the fully discharged (Li-incorporated) CTS electrode are shown in Figure 6. These data establish the presence of Cu 0 (Figure 6a) [39] and Li 2 S (Figure 6b) [40] consistent with the right hand side of Equation 1; also corroborating the presence of these two states as reflected in the PXRD result (Figure 5a).…”
Section: Resultsmentioning
confidence: 99%
“…On the one hand, the hierarchically porous system promises a high sulfur loading and high physisorption ability for trapping soluble polysulfides . On the other hand, owing to the much higher electronegativity of the N atom than the C atom, the abundance of quaternary N and pyridinic N in the carbon matrix provided additional adsorption through ionic bonding and intermolecular Keesom interactions . Based on the Lewis acid–base theory, more negative pyridinic N atoms with additional lone pair electrons serve as electrons donors, while terminal lithium atoms in polysulfides with empty orbitals serve as electrons acceptor .…”
Section: Resultsmentioning
confidence: 99%