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At least 1,153 records · Page 64

Interfacial study of the role of SiO 2 on Si anodes using electrochemical quartz crystal microbalance

One of the challenges associated with silicon as an anode material for Li-ion batteries is the formation of an unstable solid-electrolyte interphase which, forms continuously while consuming lithium and other components; and consequently contributes to irreversible capacity. To elucidate some of the details of the formation and subsequent dissolution of species formed during lithiation of silicon anodes we have produced thin film silicon electrodes and analyzed them during lithiation and delithiation using an electrochemical quartz microbalance with in-situ dissipation (EQCM-D). Measurements were conducted on electrodes with silicon alone and silicon with a silicon dioxide coating, and in EC:EMC and EC:DEC:FEC based electrolytes. Mass loss during lithiation was observed in both solvents systems when an oxide layer was present on the surface of the electrode. Solid state and solution NMR measurements indicate that the formation and dissolution of Li2O is the most likely cause of mass loss.

Anodes↗

Synthesis, crystal structure, optical, and electronic study of the new ternary thorium selenide Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2}

The compound Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} has been synthesized by solid-state methods at 1173 K. Its crystal structure features one-dimensional chains of {sup 1}{sub ∞}[Th(Se){sub 3}(Se{sub 2}){sub 2}{sup 6−}] separated by Ba{sup 2+} cations. Each Th atom in these chains is coordinated to two Se–Se single-bonded pairs and four Se atoms to give rise to a pseudooctahedral geometry around Th. The Th–Se distances are consistent with Th{sup 4+} and hence charge balance of Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is achieved as 3×Ba{sup 2+}, 1×Th{sup 4+}, 3×Se{sup 2−}, and 2×Se{sub 2}{sup 2−}. From optical measurements the band gap of Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is 1.96(2) eV. DFT calculations indicate that the compound is a semiconductor. - Graphical abstract: Local coordination environment of Th atoms in the Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} structure. - Highlights: • Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} has been synthesized by solid-state methods at 1173 K. • The structure features chains of {sup 1}{sub ∞}[Th(Se){sub 3}(Se{sub 2}){sub 2}{sup 6−}] separated by Ba{sup 2+} cations. • Ba{sub 3}ThSe{sub 3}(Se{sub 2}){sub 2} is a semiconductor with a band gap of 1.96(2) eV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗