Wang Feng, Gu Yaoqi, Zha Jianrui, Wei Shuya
Institute of Cultural Heritage and History of Science & Technology, University of Science and Technology Beijing, Beijing 100083, China.
Materials (Basel). 2023 Feb 13;16(4):1568. doi: 10.3390/ma16041568.
Ca(OH) nanoparticles are effective materials for cultural heritage restoration, hazardous substance absorption and photocatalyst. However, many methods are complex, and the particle sizes are usually above 80-100 nm, involving mediocre efficacy for application in the stone restoration field. In this work, Nano Ca(OH) with diameters less than 70 nm and composited with Graphene Quantum Dots (GQDs) were successfully synthesized in aqueous media. The morphology and structure of the nanoparticles were investigated with TEM, HRTEM, XRD, Raman and FTIR. The particle size distribution and relative kinetic stability of the Ca(OH) in ethanol were performed using a laser particle size analyzer and spectrophotometer. Firstprinciple calculations based on the spin-polarized density functional theory (DFT) were carried out to study the reaction process and combination model. The nanoparticles, as prepared, are composed of primary hexagonal crystals and high ammoniated precursors, which have a positive effect on reducing the grain size, and interacted with the GQDs hybrid process. According to the First-principle calculations results, the energy variation of the whole reaction process and the bonding mode between Ca(OH) and GQDs can be understood better.
氢氧化钙纳米颗粒是用于文化遗产修复、有害物质吸收和光催化剂的有效材料。然而，许多方法都很复杂，并且颗粒尺寸通常在80 - 100纳米以上，在石材修复领域的应用效果一般。在这项工作中，成功地在水介质中合成了直径小于70纳米且与石墨烯量子点（GQDs）复合的纳米氢氧化钙。用透射电子显微镜（TEM）、高分辨率透射电子显微镜（HRTEM）、X射线衍射仪（XRD）、拉曼光谱仪和傅里叶变换红外光谱仪（FTIR）研究了纳米颗粒的形态和结构。使用激光粒度分析仪和分光光度计对乙醇中氢氧化钙的粒度分布和相对动力学稳定性进行了测定。基于自旋极化密度泛函理论（DFT）进行了第一性原理计算，以研究反应过程和结合模型。所制备的纳米颗粒由初级六方晶体和高氨化前驱体组成，这对减小晶粒尺寸有积极作用，并与石墨烯量子点的杂化过程相互作用。根据第一性原理计算结果，可以更好地理解整个反应过程的能量变化以及氢氧化钙与石墨烯量子点之间的键合模式。
