TomoPyUI: a user-friendly tool for rapid tomography alignment and reconstruction.

The management and processing of synchrotron and neutron computed tomography data can be a complex, labor-intensive and unstructured process. Users devote substantial time to both manually processing their data (i.e.

Subtle Local Structural Details Influence Ion Transport in Glassy Li Thiophosphate Solid Electrolytes.

Many of the promising, high-performing solid electrolytes for lithium-ion batteries are amorphous or contain an amorphous component, particularly in the Li thiophosphate LiS-PS (LPS) compositional series. An explicit study of the local structure in four samples of ostensibly identically prepared 70LiS-30PS glass reveals substantial variation in the ratio between the two main local structural units in this system: PS3 tetrahedra and PS corner-sharing tetrahedral pairs. Local structural and compositional probes including Raman spectroscopy, X-ray photoelectron spectroscopy, and X-ray pair distribution function analysis are employed here to arrive at a consistent description of the relative amounts of isolated tetrahedral units, which vary by 13% across the samples measured.

Rapid and Tunable Assisted-Microwave Preparation of Glass and Glass-Ceramic Thiophosphate "LiPS" Li-Ion Conductors.

Glass and glass-ceramic samples of metastable lithium thiophosphates with compositions of 70LiS-30PS and LiPS were controllably prepared by using a rapid assisted-microwave procedure in under 30 min. The rapid preparation times and weak coupling of the evacuated silica ampules with microwave radiation ensure minimal reactivity of the reactants and the container. The microwave-prepared samples display comparable conductivity values with more conventionally prepared (melt quenched) glass and glass-ceramic samples, on the order of 0.

Ionic and Electronic Conduction in TiNbO.

TiNbO is a Wadsley-Roth phase with a crystallographic shear structure and is a promising candidate for high-rate lithium ion energy storage. The fundamental aspects of the lithium insertion mechanism and conduction in TiNbO, however, are not well-characterized. Herein, experimental and computational insights are combined to understand the inherent properties of bulk TiNbO.

Ab initio computation for solid-state P NMR of inorganic phosphates: revisiting X-ray structures.

The complete 31P NMR chemical shift tensors for 22 inorganic phosphates obtained from ab initio computation are found to correspond closely to experimentally obtained parameters. Further improvement was found when structures determined by diffraction were geometry optimized. Besides aiding in spectral assignment, the cases where correspondence is significantly improved upon geometry optimization point to the crystal structures requiring correction.

The capricious nature of iodine catenation in I excess, perovskite-derived hybrid Pt(iv) compounds.

Perovskite-derived hybrid platinum iodides with the general formula A2PtIVI6 (A = formamidinium FA and guanidinium GUA) accommodate excess I2 to yield hydrogen-bond-stabilized compounds where the I2 forms catenates with I- anions on the PtI6 octahedra.

Hydrogen Bonding Controls the Structural Evolution in Perovskite-Related Hybrid Platinum(IV) Iodides.

We describe the solid-state structural evolution in four hybrid hexaiodoplatinate(IV) compounds, demonstrating the increasingly important role that extended hydrogen bonding plays in directing the structure across the series. The compounds are APtI, where A is one of the following amines: ammonium, NH; methylammonium, CHNH; formamidinium, CH(NH); guanidinium, C(NH). These are closely related in structure and properties to the hybrid halide perovskites of lead(II) that have recently established their prowess in optoelectronics.

High Sulfur Content Material with Stable Cycling in Lithium-Sulfur Batteries.

We demonstrate a novel crosslinked disulfide system as a cathode material for Li-S cells that is designed with the two criteria of having only a single point of S-S scission and maximizing the ratio of S-S to the electrochemically inactive framework. The material therefore maximizes theoretical capacity while inhibiting the formation of polysulfide intermediates that lead to parasitic shuttle. The material we report contains a 1:1 ratio of S:C with a theoretical capacity of 609 mAh g .

Strain-induced stereoselective formation of blue-emitting cyclostilbenes.

We describe the synthesis of two conjugated macrocycles that are formed from the end-to-end linking of stilbenes. We have named these macrocycles cyclostilbenes. The two cyclostilbene isomers created in this study differ in the configuration of the double bond in their subunits.