Lithium Self-Diffusion in a Polymer Electrolyte for Solid-State Batteries: ToF-SIMS/ssNMR Correlative Characterization and Modeling Based on Lithium Isotopic Labeling.

Manufacturers aim to commercialize efficient and safe batteries by finding new strategies. Solid-state electrolytes can be seen as an opportunity to develop batteries with a high energy density. They allow the use of lithium foil as the anode, increasing the energy density.

Lithium isotope tracing in silicon-based electrodes using solid-state MAS NMR: a powerful comprehensive tool for the characterization of lithium batteries.

The introduction of lithiated components with different Li/Li isotopic ratios, also called isotopic tracing, can give access to better understanding of lithium transport and lithiation processes in lithium-ion batteries. In this work, we propose a simple methodology based on high-resolution solid-state NMR for the determination of the Li/Li ratio in silicon electrodes following different strategies of isotopic tracing. The Li and Li MAS NMR experiments allow obtaining resolved spectra whose spectral components can be assigned to different moieties of the materials.

Pairing Cross-Linked Polyviologen with Aromatic Amine Host Structure for Anion Shuttle Rechargeable Batteries.

Electroactive organic compounds could bring new chemical opportunities to further improve existing electrochemical energy-storage technologies as they can be prepared from less-limited resources and potentially at low environmental footprint. Among the current explored research fields, the anion-ion cell configuration appears poorly investigated although quite promising to promote the fabrication of molecular (metal-free) rechargeable batteries. Herein, we report the synthesis and the electrochemical behavior of both Mg/Li salts of 2,5-(dianilino)terephthalate (MgDAnT and Li DAnT) and cross-linked polyviologen (c-PV ) that can reversibly uptake/extract anions at different working potentials, enabling the assembly of full anionic organic batteries.

Perylene-Based All-Organic Redox Battery with Excellent Cycling Stability.

Organic materials derived from biomass can constitute a viable option as replacements for inorganic materials in lithium-ion battery electrodes owing to their low production costs, recyclability, and structural diversity. Among them, conjugated carbonyls have become the most promising type of organic electrode material as they present high theoretical capacity, fast reaction kinetics, and quasi-infinite structural diversity. In this letter, we report a new perylene-based all-organic redox battery comprising two aromatic conjugated carbonyl electrode materials, the prelithiated tetra-lithium perylene-3,4,9,10-tetracarboxylate (PTCLi6) as negative electrode material and the poly(N-n-hexyl-3,4,9,10-perylene tetracarboxylic)imide (PTCI) as positive electrode material.

How do physical-chemical parameters influence the catalytic hydrogenation of 1,3-cyclohexadiene in ionic liquids?

The catalytic hydrogenation of 1,3-cyclohexadiene using [Rh(COD)(PPh(3))(2)]NTf(2) (COD = 1,5-cyclooctadiene) was performed in two ionic liquids: 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [C(1)C(4)Im][NTf(2)], and 1-butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide, [C(1)C(1)C(4)Im][NTf(2)]. It is observed that the reaction is twice as fast in [C(1)C(4)Im][NTf(2)] than in [C(1)C(1)C(4)Im][NTf(2)]. To explain the difference in reactivity, molecular interactions and the microscopic structure of ionic liquid +1,3-cyclohexadiene mixtures were studied by NMR and titration calorimetry experiments, and by molecular simulation in the liquid phase.

Interaction between the pi-system of toluene and the imidazolium ring of ionic liquids: a combined NMR and molecular simulation study.

The solute-solvent interactions and the site-site distances between toluene and ionic liquids (ILs) 1-butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide [BMMIm][NTf2] and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide [BMIm][NTf2] at various molar ratios were determined by NMR experiments (1D NMR, rotating-frame Overhauser effect spectroscopy (ROESY)) and by molecular simulation using an atomistic force field. The difference in behavior of toluene in these ILs has been related to the presence of H-bonding between the C2-H and the anion in [BMIm][NTf2] generating a stronger association (>20 kJ.mol-1) than in the case of [BMMIm][NTf2].