Solid-state synthesis and X-ray diffraction studies of Na2S

Kızılyallı, M.; Bilgin, Mehmet; Kizilyalli, H. M.

doi:10.1016/s0022-4596(05)80085-4

Cited by 12 publications

(7 citation statements)

References 12 publications

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“…We will use an average of these values of ∼2.6 Å. These same studies also found that like in crystalline Na 2 S, which crystallizes in the antifluorite structure, − the total average coordination number around Na + by both charged nbS and neutral bS was ∼4, which is taken here to create a tetrahedral site around the Na + ions. In this geometry, the interstitial doorway through which the Na + ion must conduct will be the trigonal face of three sulfur atoms of the tetrahedron.…”

Section: Discussionmentioning

confidence: 98%

Composition Dependence of the Na⁺ Ion Conductivity in 0.5Na₂S + 0.5[xGeS₂ + (1 – x)PS_5/2] Mixed Glass Former Glasses: A Structural Interpretation of a Negative Mixed Glass Former Effect

2015

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A negative mixed glass former effect (MGFE) in the Na(+) ion conductivity of glass has been found in 0.5Na2S + 0.5[xGeS2 + (1 - x)PS5/2] glasses where the Na(+) ion conductivity is significantly smaller for all of the ternary glasses than either of the binary end-member glasses. The minimum conductivity of ∼0.4 × 10(-6) (Ω cm)(-1) at 25 °C occurs for the x = 0.7 glass. Prior to this observation, the alkali ion conductivity of sulfide glasses at constant alkali concentration, but variable ratio of one glass former for another (x) ternary mixed glass former (MGF) glasses, has always produced a positive MGFE in the alkali ion conductivity; that is, the ternary glasses have always had higher ion conductivities that either of the end-member binary glasses. While the Na(+) ion conductivity exhibits a single global minimum value, the conductivity activation energy exhibits a bimodal double maximum at x ≈ 0.4 and x ≈ 0.7. The modified Christensen-Martin-Anderson-Stuart (CMAS) model of the activation energies reveals the origin of the negative MGFE to be due to an increase in the dielectric stiffness (a decrease in relative dielectric permittivity) of these glasses. When coupled with an increase in the average Na(+) ion jump distance and a slight increase in the mechanical stiffness of the glass, this causes the activation energy to go through maximum values and thereby produce the negative MGFE. The double maximum in the conductivity activation energy is coincident with double maximums in CMAS calculated strain, ΔES, and Coulombic, ΔEC, activation energies. In these ternary glasses, the increase in the dielectric stiffness of the glass arises from a negative deviation of the limiting high frequency dielectric permittivity as compared to the binary end-member glasses. While the CMAS calculated total activation energies ΔEact = ΔES + ΔEC are found to reproduce the overall shape of the composition dependence of the measured ΔEact values, they are consistently smaller than the measured values for all compositions x. The new concept of an effective Madelung constant for the Na(+) ions in glass is introduced, MD(Na(+)), to account for the difference. Calculated MD(Na(+)) values necessary to bring the CMAS and experimental ΔEact values into agreement are in excellent agreement with nominal values for typical oxide crystals containing Na(+). New MD simulations of oxide glasses were performed and were used to calculate MD(Na(+)) values for Na2O + SiO2 glasses for the first time and were found to agree quite well with the values for the sulfide glasses studied here. Insights from the current study have been used to predict and design new MGF systems that may lead to a positive MGFE in the ionic conductivity.

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Section: Discussionmentioning

confidence: 98%

Composition Dependence of the Na⁺ Ion Conductivity in 0.5Na₂S + 0.5[xGeS₂ + (1 – x)PS_5/2] Mixed Glass Former Glasses: A Structural Interpretation of a Negative Mixed Glass Former Effect

2015

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“…To explain the scarcity of experimental X-ray data, Kizilyalli et al (1990) highlight numerous difficulties in the preparation and handling of Na2S and in the rapid deterioration of the samples exposed to X-rays, and also the peculiarities of sulfide crystal structures.…”

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confidence: 99%

Ab initio Hartree–Fock study of lithium and sodium sulfides: electronic and scattering properties

Azavant¹,

Lichanot²,

Rérat³

et al. 1994

Acta Crystallogr Sect B

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The electronic structure of lithium sulfide and sodium sulfide in the solid state is established at the Hartree-Fock level, as implemented in the CRYSTAL program. Two all-electron basis sets are adopted for each compound. Mulliken analysis, band structure, density of states and electron charge density are studied: these exhibit the highly ionic character of both compounds; this seems rather surprising because of the weak electronegativity and large polarizability of the sulfur. Form factors of the sulfur are deduced from the structure factors and analysed in order to show the deformations of this anion in the crystal environment. Finally, electron momentum density and Compton profiles confirm the almost fully ionic character of the compounds and prove the quality of the calculated wavefunctions.

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“…The main peaks include symmetric stretching band 43 of SO 3 2− and residual water remaining (O-H bending and stretching modes at 1570 and 3200 cm −1 , respectively). 44 Further drying can desolvate the residual water to improve the Sb 2 S 3 impurity profile. On the other hand, Sb 2 S 3 derived from hydrated precursors mainly carries on the insoluble impurities already present in the sodium sulfide such as oxysulfurs (Na 2 SO x ) and residual carbon bindings.…”

Section: Resultsmentioning

confidence: 99%

Solution Synthesis of Sb₂S₃ and Na₃SbS₄ Solid-State Electrolyte

Vaselabadi¹,

Smith²,

Wolden³

2021

J. Electrochem. Soc.

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Sodium thioantimonate (Na3SbS4) is an attractive solid-state electrolyte for sodium-ion batteries due to its high ionic conductivity and stability in protic solvents. Herein, we describe solution-based routes for its synthesis. First, we demonstrate the synthesis of the Sb2S3 precursor via thermodynamically favorable metathesis between Na2S and SbCl3. This solution-based approach is further extended to couple the resulting Sb2S3 with Na2S for the synthesis of Na3SbS4. It is shown that ethanol is a superior solvent to water for solution-based synthesis of Na3SbS4 with respect to yield, morphology, and performance. Amorphous Sb2S3 synthesized from low-temperature metathesis produced highly crystalline Na3SbS4 with a room temperature Na+ conductivity of 0.52 mS cm−1 and low activation energy, comparable to leading values reported in the literature.

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Solid-state synthesis and X-ray diffraction studies of Na2S

Cited by 12 publications

References 12 publications

Composition Dependence of the Na⁺ Ion Conductivity in 0.5Na₂S + 0.5[xGeS₂ + (1 – x)PS_5/2] Mixed Glass Former Glasses: A Structural Interpretation of a Negative Mixed Glass Former Effect

Composition Dependence of the Na⁺ Ion Conductivity in 0.5Na₂S + 0.5[xGeS₂ + (1 – x)PS_5/2] Mixed Glass Former Glasses: A Structural Interpretation of a Negative Mixed Glass Former Effect

Ab initio Hartree–Fock study of lithium and sodium sulfides: electronic and scattering properties

Solution Synthesis of Sb₂S₃ and Na₃SbS₄ Solid-State Electrolyte

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Solid-state synthesis and X-ray diffraction studies of Na2S

Cited by 12 publications

References 12 publications

Composition Dependence of the Na+ Ion Conductivity in 0.5Na2S + 0.5[xGeS2 + (1 – x)PS5/2] Mixed Glass Former Glasses: A Structural Interpretation of a Negative Mixed Glass Former Effect

Composition Dependence of the Na+ Ion Conductivity in 0.5Na2S + 0.5[xGeS2 + (1 – x)PS5/2] Mixed Glass Former Glasses: A Structural Interpretation of a Negative Mixed Glass Former Effect

Ab initio Hartree–Fock study of lithium and sodium sulfides: electronic and scattering properties

Solution Synthesis of Sb2S3 and Na3SbS4 Solid-State Electrolyte

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Composition Dependence of the Na⁺ Ion Conductivity in 0.5Na₂S + 0.5[xGeS₂ + (1 – x)PS_5/2] Mixed Glass Former Glasses: A Structural Interpretation of a Negative Mixed Glass Former Effect

Composition Dependence of the Na⁺ Ion Conductivity in 0.5Na₂S + 0.5[xGeS₂ + (1 – x)PS_5/2] Mixed Glass Former Glasses: A Structural Interpretation of a Negative Mixed Glass Former Effect

Solution Synthesis of Sb₂S₃ and Na₃SbS₄ Solid-State Electrolyte