Lai Shunqi, Zhao Ming, Qiao Jianwei, Molokeev Maxim S, Xia Zhiguo
State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, School of Materials Science and Engineering, South China University of Technology, Guangzhou 510641, China.
The Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing 100083, China.
J Phys Chem Lett. 2020 Jul 16;11(14):5680-5685. doi: 10.1021/acs.jpclett.0c01471. Epub 2020 Jul 2.
Discovery of rare earth phosphors has generally relied on the chemical intuition and time-intensive trial-and-error synthesis; therefore, finding new materials assisted by data-driven computations is urgent. Herein, we utilize a regression model to predict the emission wavelengths of Eu-doped phosphors by revealing the relationships between the crystal structure and luminescence property. The emission wavelengths of [RbK]LuSiO:Eu (0 ≤ ≤ 1) phosphors, as examples for the data-driven photoluminescence tuning, are successfully predicted on the basis of the existing data of only eight systems, also consistent with the experimental results. These phosphors can be excited by blue light and exhibit broad-band red and near-infrared emission ranging from 619 to 737 nm. These findings in Eu-doped silicate phosphors indicate that data-driven computations through the regression mode would have bright application in discovering novel phosphors with a target emission wavelengths.
稀土磷光体的发现通常依赖于化学直觉和耗时的试错合成法；因此，借助数据驱动计算来寻找新材料迫在眉睫。在此，我们通过揭示晶体结构与发光性能之间的关系，利用回归模型来预测铕掺杂磷光体的发射波长。作为数据驱动光致发光调谐的示例，[RbK]LuSiO:Eu（0 ≤ ≤ 1）磷光体的发射波长基于仅八个体系的现有数据成功预测，且与实验结果一致。这些磷光体可被蓝光激发，并呈现出619至737 nm范围内的宽带红光和近红外发射。铕掺杂硅酸盐磷光体的这些发现表明，通过回归模型进行数据驱动计算在发现具有目标发射波长的新型磷光体方面将有广阔的应用前景。
