The Nafion, Dow and Aciplex systems--where the prime differences lies in the side-chain length--have been studied by molecular dynamics (MD) simulation under standard pressure and temperature conditions for two different levels of hydration: 5 and 15 water molecules per (H)SO(3) end-group. Structural features such as water clustering, water-channel dimensions and topology, and the dynamics of the hydronium ions and water molecules have all been analysed in relation to the dynamical properties of the polymer backbone and side-chains. It is generally found that mobility is promoted by a high water content, with the side-chains participating actively in the H(3)O(+)/H(2)O transport mechanism. Nafion, whose side-chain length is intermediate of the three polymers studied, is found to have the most mobile polymer side-chains at the higher level of hydration, suggesting that there could be an optimal side-chain length in these systems. There are also some indications that the water-channel network connectivity is optimal for high water-content Nafion system, and that this could explain why Nafion appears to exhibit the most favourable overall hydronium/water mobility.
Environmentally friendly and cost‐effective Li‐ion cells are fabricated with abundant, non‐toxic LiFePO4 cathodes and iron oxide anodes. A water‐soluble alginate binder is used to coat both electrodes to reduce the environmental footprint. The critical reactivity of LiPF6‐based electrolytes toward possible traces of H2O in water‐processed electrodes is overcome by using a lithium bis(oxalato)borate (LiBOB) salt. The absence of fluorine in the electrolyte and binder is a cornerstone for improved cell chemistry and results in stable battery operation. A dedicated approach to exploit conversion‐type anodes more effectively is also disclosed. The issue of large voltage hysteresis upon conversion/de‐conversion is circumvented by operating iron oxide in a deeply lithiated Fe/Li2O form. Li‐ion cells with energy efficiencies of up to 92 % are demonstrated if LiFePO4 is cycled versus such anodes prepared through a pre‐lithiation procedure. These cells show an average energy efficiency of approximately 90.66 % and a mean Coulombic efficiency of approximately 99.65 % over 320 cycles at current densities of 0.1, 0.2 and 0.3 mA cm−2. They retain nearly 100 % of their initial discharge capacity and provide an unmatched operation potential of approximately 2.85 V for this combination of active materials. No occurrence of Li plating was detected in three‐electrode cells at charging rates of approximately 5C. Excellent rate capabilities of up to approximately 30C are achieved thanks to the exploitation of size effects from the small Fe nanoparticles and their reactive boundaries.
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