MOLECULAR DYNAMICS STUDY OF STRUCTURE IN MOLTEN SALT SOLUTION NaF-CaF_2

The NaF-CaF_2 system has been studied by molecular dynamics simulation.The pair correlation functions between cations and anions and the bond angle distributions of cation and anion triplets have been obtained.The bridging and complexing in the system are discussed based on the pair correlation functions and bond angle distributions.The results simulated show that the F^- ions around a Ca^(2+)ion do not form tetrahedron coordination,so some of small complexing clusters such as CaF_4^(2-)are hardly found.A possible structure of F^- ions around Ca^(2+)ions is that three Ca^(2+)ions constitute an equilateral triangle through three Ca-F-Ca bridges and two F^- ions are located over and under the center of the right triangle,respectively.Meanwhile,on the outside of the triangle,every Ca^(2+)ion has other two F^- ions as its neighbors.

Recent progress in molten salt synthesis of low-dimensional perovskite oxide nanostructures, structural characterization,properties, and functional applications: A review

Molten salt synthesis （MSS） method has advantages of the simplicity in the process equipment, versatile and large-scale synthesis, and friendly environment, which provides an excellent approach to synthesize high pure oxide powders with controllable compositions and morphologies. Among these oxides, perovskite oxides with a composition of ABO3 exhibit a broad spectrum of physical properties and functions （e.g. ferroelectric, piezoelectric, magnetic, photovoltaic and photocatalytic properties）. The downscaling of the spatial geometry of perovskite oxides into nanometers result in novel properties that are different from the bulk and film counterparts. Recent interest in nanoscience and nanotechnology has led to great efforts focusing on the synthesis of low-dimensional perovskite oxide nanostructures （PONs） to better understand their novel physical properties at nanoscale. Therefore, the low-dimensional PONs such as perovskite nanoparticles, nanowires, nanorods, nanotubes, nanofibers, nanobelts, and two dimensional oxide nanostructures, play an important role in developing the next generation of oxide electronics. In the past few years, much effort has been made on the synthesis of PONs by MSS method and their structural characterizations. The functional applications of PONs are also explored in the fields of storage memory, energy harvesting, and solar energy conversion. This review summarizes the recent progress in the synthesis of low-dimensional PONs by MSS method and its modified ways. Their structural char- acterization and physical properties are also scrutinized. The potential applications of low-dimensional PONs in different fields such as data memory and storage, energy harvesting, solar energy conversion, are highlighted. Perspectives concerning the future research trends and challenges of low-dimensional PONs are also outlined. ~ 2017 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science ＆ Technology.