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Creators/Authors contains: "Smirnova, Alevtina"

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  1. Zr-doping in Li3InCl6enhances ionic conductivity by 2.4%viathe creation of lithium vacancies. Zr-F co-doped Li3InCl6electrolyte improves electrochemical stability through the formation of a LiF protective layer. 
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  2. Environmentally friendly processes to recapture critical metals and supplement markets are vital to overall sustainability in the energy sector. This work outlines a precise methodology for the electrochemical study of extraction performance in hydrometallurgical recycling. To demonstrate this method, the battery cathode material NMC532 is exposed to hydrochloric acid solutions at varying concentrations, rotation rates, current densities, and hydrogen peroxide contents. A dispersion of NMC532 and Nafion™ in water is deposited onto a rotating disc electrode surface to form a thin-film composite. The solution is sampled over time and relevant component concentrations are measured using inductively coupled plasma mass spectrometry (ICP-MS). The solution volume is maintained by replacing the sampled volume with the initial solution and a correction equation is used to account for dilution. After electrochemical extraction, the NMC532 residue is collected for further analysis using scanning electron microscopy (SEM). This methodology requires minimal recyclable material to assess extraction conditions and provide high-precision results. It can also facilitate the development of advanced electrochemical systems and provide valuable insight into key mechanisms for various hydrometallurgical and electrochemical processes. 
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  3. Lama, B; Smirnova, A; Paudel, T (Ed.)
    Ionic diffusivity plays a central role in battery performance. A cathode material for lithium-ion (Li-ion) batteries, LiFePO4 (LFP), performs poorly at high current rates due to low Li-ion diffusivity. An increase in ionic diffusivity is essential to enhance battery performance for high-power-density applications such as hybrid and electric vehicles. Here, we use molecular dynamics simulations with machine learning force field and climbing-image nudged elastic band calculations to show that Li-ion diffusivity in LFP increases when doped with the transition-metal dopant ruthenium. This increase is associated with a reduction in Li diffusion energy barrier, diffusion length, and Li-vacancy formation energy, and it is accompanied by changes in the electronic band structure, specifically the appearance of electronic states in the middle of the band gap and the vicinity of the conduction band. 
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  4. The all-solid-state battery is a promising alternative to conventional lithium-ion batteries that have reached the limit of their technological capabilities. The next-generation lithium-ion batteries are expected to be eco-friendly, long-lasting, and safe while demonstrating high energy density and providing ultrafast charging. These much-needed properties require significant efforts to uncover and utilize the chemical, morphological, and electrochemical properties of solid-state electrolytes and cathode nanocomposites. Here we report solid-state electrochemical cells based on lithium oxyhalide electrolyte that is produced by melt-casting. This method results in enhanced cathode/electrolyte interfaces that allow exceptionally high charging rates (>4000C) while maintaining the electrochemical stability of solid-state electrolyte in the presence of lithium metal anode and lithium iron phosphate-based cathode. The cells exhibit long cycle life (>1800 cycles at 100 °C) and offer a promising route to the next-generation all-solid-state battery technology. 
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