화학공학소재연구정보센터
Journal of Crystal Growth, Vol.435, 1-5, 2016
Reinvestigation on the phase transition of a LiB3O5 crystal near its melting point
Raman spectroscopy has been applied to investigate in-situ the phase transition of a LBO (LiB3O5) crystal near its melting point in order to explain the discrepancies between the experimental results observed in the LBO crystal growth process and the predicted results obtained from the Li2O-B2O3 phase diagram. When the LBO crystal begins to melt, it first decomposes to the kinetic products Li2B4O7 and B2O3; then the Li2B4O7 reacts with the undecomposed LBO to form the thermodynamic product Li3B7O12. On the basis of these results, a set of models have been proposed to describe the structural transformations present in the phase transition. Additionally, our experimental result indicates that Li3B7O12 is stable/metastable at room temperature. Its Raman spectrum has been calculated by the density functional theory method for identification of the Li3B7O12 crystalline phase in a mixture. The result shows that Li3B7O12 has three strong characteristic Raman peaks located around 595, 775 and 1040 cm(-1). (C) 2015 Elsevier B.V. All rights reserved.