Preparation, characterization and DFT+U study of the polar Fe-based phase BaFeZnInS containing = 5/2 zigzag chains.

The polar magnetic chalcogenide phase BaFeZnInS was synthesized and its structure was solved by single crystal XRD. It is the first member with a 3d magnetic metal (Fe) in the PbZnGaS-type structure family of wide bandgap materials with non-linear optical properties. The three-dimensional framework possesses a low dimensional magnetic character through the presence of weakly interacting zig-zag chains made of corner-sharing FeS tetrahedra forming chain 1, [FeS].

Oxysulfide Ba(VOS)(S) Combining Disulfide Channels and Mixed-Anion Tetrahedra and Its Third-Harmonic-Generation Properties.

Mixed-anion compounds are among the most promising systems to design functional materials with enhanced properties. In particular, heteroleptic environments around transition metals allow tuning of the polarity or band-gap engineering for instance. We present the original oxysulfide Ba(VOS)(S), the fifth member in the quaternary system Ba-V-S-O.

Prussian Blue Mg-Li Hybrid Batteries.

The major advantage of Mg batteries relies on their promise of employing an Mg metal negative electrode, which offers much higher energy density compared to graphitic carbon. However, the strong coulombic interaction of Mg ions with anions leads to their sluggish diffusion in the solid state, which along with a high desolvation energy, hinders the development of positive electrode materials. To circumvent this limitation, Mg metal negative electrodes can be used in hybrid systems by coupling an Li insertion cathode through a dual salt electrolyte.

Screening for positive electrodes for magnesium batteries: a protocol for studies at elevated temperatures.

The well-known all phenyl complex (APC) electrolyte for magnesium batteries is studied for the first time at high temperature using tetraglyme as a solvent. Combined with a molybdenum current collector, this enables the examination of positive electrode materials for Mg batteries at temperatures as high as 180 °C and up to 2 V vs. Mg, allowing discovery of the auspicious properties of CuS as a conversion cathode.

The emerging chemistry of sodium ion batteries for electrochemical energy storage.

Energy storage technology has received significant attention for portable electronic devices, electric vehicle propulsion, bulk electricity storage at power stations, and load leveling of renewable sources, such as solar energy and wind power. Lithium ion batteries have dominated most of the first two applications. For the last two cases, however, moving beyond lithium batteries to the element that lies below-sodium-is a sensible step that offers sustainability and cost-effectiveness.

Straightforward synthesis of new polyoxometalate-based hybrids exemplified by the covalent bonding of a polypyridyl ligand.

A new polyoxometalate-based organic-inorganic platform has been designed for further facile derivatization and covalent attachment of organic linkers; this is exemplified by the grafting of a polypyridyl ligand.