Structural features of Li2O–V2O5–B2O3 glasses: Experiment and molecular dynamics simulation
Source abstract
Abstract
Abstract Glasses in 30Li2O–(70-x)B2O3–xV2O5 system (x = 30, 40, 47.5 mol%) are obtained by melt quenching method. Their structure has been studied by a set of experimental and simulation methods such as nuclear magnetic resonances, X-ray diffraction, and molecular dynamics. The coordination numbers of lithium and boron ions are determined from NMR data and confirmed by XRD analysis; the obtained data are compared with the simulation results. Based on the experimental and simulation results, the model of the glass network is constructed. According to the experimental data and simulation results, boron coordination in the glasses is 3 and 4, and vanadium coordination is equal to 5 and 6.
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Research context
OpenAlex topics: Glass properties and applications · Lanthanide and Transition Metal Complexes · Luminescence Properties of Advanced Materials
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