Problem of the lithium peroxide thermal stability

Nefedov, R A; Ferapontov, Yu. A.; Kozlova, N. P.

doi:10.1088/1757-899x/112/1/012027

Cited by 4 publications

(1 citation statement)

References 3 publications

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“…To understand the differences in product yield and synthesis routes and the resulting structure–property correlations, we use the thermal decomposition temperature of the Li precursor to Li 2 O as a metric for the thermodynamic driving force (e.g., LiNO 3 → Li 2 O + NO 2 ). Precursor decomposition temperatures were taken from the literature with the exception of LiOH. − For the determination of the LiOH decomposition temperature, see Appendix A.…”

Section: Resultsmentioning

confidence: 99%

Role of Pairwise Reactions on the Synthesis of Li_0.3La_0.57TiO₃ and the Resulting Structure–Property Correlations

et al. 2021

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The performance of single-ion conductors is highly sensitive to the material’s defect chemistry. Tuning these defects is limited for solid-state reactions as they occur at particle–particle interfaces, which provide a complex evolving energy landscape for atomic rearrangement and product formation. In this report, we investigate the (1) order of addition and (2) lithium precursor decomposition temperature and their effect on the synthesis and grain boundary conductivity of the perovskite lithium lanthanum titanium oxide (LLTO). We use an intimately mixed sol–gel, a solid-state reaction of Li precursor + La2O3 + TiO2, and Li precursor + amorphous La0.57TiO x as different chemical routes to change the way in which the elements are brought together. The results show that the perovskite can accommodate a wide range of Li deficiencies (upward of 50%) while maintaining the tetragonal LLTO structure, indicating that X-ray diffraction (XRD) is insufficient to fully characterize the chemical nature of the product (i.e., Li-deficient LLTO may behave differently than stoichiometric LLTO). Variations in the relative intensities of different reflections in XRD suggest variations in the La ordering within the crystal structure between synthesis methods. Furthermore, the choice of the precursor and the order of addition of the reactants lower the time required to form a pure phase. Density functional theory calculations of the formation energy of possible reaction intermediates support the hypothesis that a greater thermodynamic driving force to form LLTO leads to a greater LLTO yield. The retention of lithium is correlated with the thermal decomposition temperature of the Li precursor and the starting material mixing strategy. Taking the results together suggests that cations that share a site with Li should be mixed early to avoid ordering. Such cation ordering inhibits Li motion, leading to higher Li ion resistance.

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Section: Resultsmentioning

confidence: 99%

Role of Pairwise Reactions on the Synthesis of Li_0.3La_0.57TiO₃ and the Resulting Structure–Property Correlations

et al. 2021

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Thermochemically regenerative flow batteries for solar electricity generation and storage

Kribus

Epstein

2021

Ultra-High Temperature Thermal Energy Storage, Transfer and Conversion

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Theoretical aspects in structural distortion and the electronic properties of lithium peroxide under high pressure

Jimlim

Kotmool

Pinsook

et al. 2018

Phys. Chem. Chem. Phys.

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The structural phase transition and electronic properties of Li2O2 under pressures up to 500 GPa have been investigated using first-principles calculations. Two new structural phase transitions have been proposed at pressures around 75 GPa from the P63/mmc structure to the P21 structure and around 136 GPa from the P21 structure to the P21/c structure. The calculated phonon spectra have confirmed the dynamical stability of these structures. The pressure dependence of the lattice dynamics, O-O bond length, and band gaps in Li2O2 have also been reported. The band gaps of the P63/mmc, P21, and P21/c structures calculated by PBE and HSE06 have shown increasing trends with increasing pressure. Interestingly, the P63/mmc band gap and c/a ratio have significantly decreased with the increasing O-O bond length and ELF value around 11 and 40 GPa. At these pressures, the phonon frequency of the O-O stretching modes has softened. This finding reveals the effects of structural distortion in three phases of Li2O2. Our study provides structural understanding and the electronic properties of Li2O2 under high pressure, which might be useful for investigating the charge transport through Li2O2 in lithium-air batteries and CO2 capture.

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Problem of the lithium peroxide thermal stability

Cited by 4 publications

References 3 publications

Role of Pairwise Reactions on the Synthesis of Li_0.3La_0.57TiO₃ and the Resulting Structure–Property Correlations

Role of Pairwise Reactions on the Synthesis of Li_0.3La_0.57TiO₃ and the Resulting Structure–Property Correlations

Thermochemically regenerative flow batteries for solar electricity generation and storage

Theoretical aspects in structural distortion and the electronic properties of lithium peroxide under high pressure

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Problem of the lithium peroxide thermal stability

Cited by 4 publications

References 3 publications

Role of Pairwise Reactions on the Synthesis of Li0.3La0.57TiO3 and the Resulting Structure–Property Correlations

Role of Pairwise Reactions on the Synthesis of Li0.3La0.57TiO3 and the Resulting Structure–Property Correlations

Thermochemically regenerative flow batteries for solar electricity generation and storage

Theoretical aspects in structural distortion and the electronic properties of lithium peroxide under high pressure

Contact Info

Product

Resources

About

Role of Pairwise Reactions on the Synthesis of Li_0.3La_0.57TiO₃ and the Resulting Structure–Property Correlations

Role of Pairwise Reactions on the Synthesis of Li_0.3La_0.57TiO₃ and the Resulting Structure–Property Correlations