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.     

Influence of ZIF-8 modification on performance of ZnO-based dye-sensitized solar cells

Journal of Solid State Electrochemistry - Metal–organic frameworks (MOFs) were used to modify the surface of nanoparticulate ZnO electrodes, aiming at enhancing the performance of...     

Recent progress of photo‐resin for rapid prototyping, “resin for stereolithography”

A main goal for manufacturing systems is to shorten lead‐time for the development of new products. An important challenge is to make sound decisions at early stages of product development where committed costs are low which leads us to obtain a lower total cost. This could mean that incurred costs are higher in the beginning where more work has to be done in terms of learning the market, developing the product and the production system. An important feature is to avoid changes at later stages where the incurred costs are high. The stereolithography using photo curable liquid resin is important for the manufacturing. The technology based on the stereolithography has been widely accepted due to the phenomena of spreading “Information Technology (IT)” and three‐dimensional computer aided design (3D CAD) system. The stereolithography technique has become very popular in the field of automotive, home‐electronics industries. In this paper the photo curable liquid resins for the stereolithography system are reviewed.