Inamori School of Engineering at the New York State College of Ceramics, Alfred University, 1 Saxon Drive, Alfred, NY 14802, USA.
Department of Physics & Astronomy and Center for High Technology Materials, University of New Mexico, Albuquerque, NM 87131, USA.
Phys Chem Chem Phys. 2023 Feb 22;25(8):5967-5988. doi: 10.1039/d2cp05517a.
The short-range order of binary zinc borate glasses, ZnO-(1-)BO, has been quantitatively described as a function of ZnO content over the entire glass forming range for the first time, to the best of our knowledge. Multiple spectroscopic techniques (B NMR, Raman, infrared) reveal detailed structural information regarding borate speciation and network connectivity, and a new model for quantifying the molar fractions of short-range order units is proposed. A consistent thermal history dependence for the fraction of tetrahedral boron () is well accounted for by the proposed model. The model predicts density within 0.1% of experimental values and to within 1% of NMR values. The intermediate character of four-coordinated zinc in borate glasses of this series is evident by the far infrared profiles and the glass transition temperature behavior, which decreases non-monotonically with increasing ZnO content.
据我们所知，首次定量描述了二元硼酸锌玻璃 ZnO-(1-)BO 的短程有序，涵盖了整个玻璃形成范围的 ZnO 含量。多种光谱技术（B NMR、拉曼、红外）揭示了有关硼酸盐形态和网络连接的详细结构信息，并提出了一种量化短程有序单元摩尔分数的新模型。所提出的模型很好地解释了 四面体硼（）分数随热历史的一致依赖性。该模型预测的密度与实验值相差 0.1%以内，与 NMR 值相差 1%以内。通过远红外谱和玻璃化转变温度行为，可以明显看出该系列硼酸盐玻璃中四配位锌的中间特性，其玻璃化转变温度随 ZnO 含量的增加呈非单调变化。
