Impact of Anion Vacancies on the Local and Electronic Structures of Iron-Based Oxyfluoride Electrodes.

The properties of crystalline solids can be significantly modified by deliberately introducing point defects. Understanding these effects, however, requires understanding the changes in geometry and electronic structure of the host material. Here we report the effect of forming anion vacancies, via dehydroxylation, in a hexagonal tungsten-bronze-structured iron oxyfluoride, which has potential use as a lithium-ion battery cathode.

Use of inorganic fluorinated materials in lithium batteries and in energy conversion systems.

After a review on the wide variety of inorganic fluorinated components in modern technologies, in particular for energy conversion/storage systems, the use of fluorinated carbons as electrodes for primary lithium batteries will be highlighted; in particular conventional graphite fluorides will be compared to recently investigated fluorinated carbon nanoparticles (F-CNPs) prepared from electrochemical reduction of molten carbonates.

Reversible magnesium and aluminium ions insertion in cation-deficient anatase TiO.

In contrast to monovalent lithium or sodium ions, the reversible insertion of multivalent ions such as Mg and Al into electrode materials remains an elusive goal. Here, we demonstrate a new strategy to achieve reversible Mg and Al insertion in anatase TiO, achieved through aliovalent doping, to introduce a large number of titanium vacancies that act as intercalation sites. We present a broad range of experimental and theoretical characterizations that show a preferential insertion of multivalent ions into titanium vacancies, allowing a much greater capacity to be obtained compared to pure TiO.

Structural and Morphological Description of Sn/SnO Core-Shell Nanoparticles Synthesized and Isolated from Ionic Liquid.

The potential application of high capacity Sn-based electrode materials for energy storage, particularly in rechargeable batteries, has led to extensive research activities. In this scope, the development of an innovative synthesis route allowing to downsize particles to the nanoscale is of particular interest owing to the ability of such nanomaterial to better accommodate volume changes upon electrochemical reactions. Here, we report on the use of room temperature ionic liquid (i.

Optimization of Layered Cathode Materials for Lithium-Ion Batteries.

This review presents a survey of the literature on recent progress in lithium-ion batteries, with the active sub-micron-sized particles of the positive electrode chosen in the family of lamellar compounds LiO₂, where stands for a mixture of Ni, Mn, Co elements, and in the family of Li₂MnO₃•(1 - )LiNiMnO₂ layered-layered integrated materials. The structural, physical, and chemical properties of these cathode elements are reported and discussed as a function of all the synthesis parameters, which include the choice of the precursors and of the chelating agent, and as a function of the relative concentrations of the cations and composition . Their electrochemical properties are also reported and discussed to determine the optimum compositions in order to obtain the best electrochemical performance while maintaining the structural integrity of the electrode lattice during cycling.

Lithium Insertion Mechanism in Iron-Based Oxyfluorides with Anionic Vacancies Probed by PDF Analysis.

The mechanism of lithium insertion that occurs in an iron oxyfluoride sample with a hexagonal-tungsten-bronze (HTB)-type structure was investigated by the pair distribution function. This study reveals that upon lithiation, the HTB framework collapses to yield disordered rutile and rock salt phases followed by a conversion reaction of the fluoride phase toward lithium fluoride and nanometer-sized metallic iron. The occurrence of anionic vacancies in the pristine framework was shown to strongly impact the electrochemical activity, that is, the reversible capacity scales with the content of anionic vacancies.

Anionic ordering and thermal properties of FeF3·3H2O.

Iron fluoride trihydrate can be used to prepare iron hydroxyfluoride with the hexagonal-tungsten-bronze (HTB) type structure, a potential cathode material for batteries. To understand this phase transformation, a structural description of β-FeF3·3H2O is first performed by means of DFT calculations and Mössbauer spectroscopy. The structure of this compound consists of infinite chains of [FeF6]n and [FeF2(H2O)4]n.

Structure and dynamics in yttrium-based molten rare earth alkali fluorides.

The transport properties of molten LiF-YF3 mixtures have been studied by pulsed field gradient nuclear magnetic resonance spectroscopy, potentiometric experiments, and molecular dynamics simulations. The calculated diffusion coefficients and electric conductivities compare very well with the measurements across a wide composition range. We then extract static (radial distribution functions, coordination numbers distributions) and dynamic (cage correlation functions) quantities from the simulations.

Advanced Electrodes for High Power Li-ion Batteries.

While little success has been obtained over the past few years in attempts to increase the capacity of Li-ion batteries, significant improvement in the power density has been achieved, opening the route to new applications, from hybrid electric vehicles to high-power electronics and regulation of the intermittency problem of electric energy supply on smart grids. This success has been achieved not only by decreasing the size of the active particles of the electrodes to few tens of nanometers, but also by surface modification and the synthesis of new multi-composite particles. It is the aim of this work to review the different approaches that have been successful to obtain Li-ion batteries with improved high-rate performance and to discuss how these results prefigure further improvement in the near future.