Navigation through high-dimensional chemical space: discovery of BaY[SiO]O and BaY[SiO].

Two compounds were discovered in the well-studied BaO-YO-SiO phase field. Two different experimental routines were used for the exploration of this system due to the differences of synthetic conditions and competition with a glass field. The first phase BaY[SiO]O was isolated through a combination of energy dispersive X-ray spectroscopy analysis and diffraction techniques which guided the exploration.

A high throughput synthetic workflow for solid state synthesis of oxides.

High-throughput synthetic methods are well-established for chemistries involving liquid- or vapour-phase reagents and have been harnessed to prepare arrays of inorganic materials. The versatile but labour-intensive sub-solidus reaction pathway that is the backbone of the functional and electroceramics materials industries has proved more challenging to automate because of the use of solid-state reagents. We present a high-throughput sub-solidus synthesis workflow that permits rapid screening of oxide chemical space that will accelerate materials discovery by enabling simultaneous expansion of explored compositions and synthetic conditions.