Evolutionary Algorithm Directed Synthesis of Mixed Anion Compounds LaF2X (X=Br,I) and LaFI2

Mixed-anion compounds have attracted growing attentions, but their synthesis is challenging, making a rational search desirable. Here, we explored LaF₃-LaX₃ (X=Cl, Br, I) system using ab initio structure searches based on evolutionary algorithms, and predicted LaF₂X and LaFX₂ (X=Br, I), which are respectively isostructural with LaHBr₂ and YH₂I, consisting of layered La-F blocks with single and double ordered honeycomb lattices, separated by van der Waals gaps. We successfully synthesized these compounds: LaF₂Br and LaFI₂ crystallize in the predicted structure, while LaF₂I is similar to the predicted one but with different layer stacking. LaF₂I exhibits fluoride ion conductivity comparable to that of non-doped LaF₃, and has the potential to show better ionic conductivity upon appropriate doping, given the theoretically lower diffusion energy barrier and the presence of soft iodine anions. This study shows the structure prediction using evolutionary algorithms will accelerate the discovery of mixed-anion compounds in future, in particular those with an ordered anion arrangement.     

Biodegradable polymeric films based on microbial poly(3-hydroxybutyrate). Effect of gamma-radiation on mechanical properties and biodegradability

Two samples of microbial poly(3-hydroxybutyrate) (PHB) having different molecular weight were used for the preparation of films to be exposed to gamma radiation. The effect of radiation on those samples with high molecular weight increased the fragility of the film. Biodegradability increased with time and reached about 95% after 18 days. Weight-loss of both samples (irradiated and non-irradiated) after 23 days were 100%, for those films with molecular weight of 265 kD.     

Charge–discharge performances of Li–S battery using NaI–NaBH4–LiI solid electrolyte

Journal of Solid State Electrochemistry - In this study, Li–S batteries were fabricated using 9(15NaI∙NaBH4)∙LiI as the solid electrolyte, and their charge–discharge...     

Crystallization Control of Molten Ba(B0.9Al0.1)2O4 from Supercooled Pendant Drop

Crystallization process of molten Ba(B_0.9Al_0.1)₂O₄ from supercooled pendant drop was investigated on a viewpoint of a supercooling and a solid phase formation. Molten pendant drop was crystallized by a rod touching at an crystallization temperature under an adequate degree of supercooling. Three kinds of rods were used. Each rod was made of Pt, hBN and graphite which had different wettability to the molten drop. There were three kinds of phases on a solid Ba(B_0.9Al_0.1)₂O₄, such as a high temperature crystal phase, a low temperature crystal phase and a glass phase. All phases could be formed by the present method.