研究目的
To develop nonlinear optical (NLO) materials through partial aliovalent cation substitution (PACS) and investigate their structural evolution and nonlinear optical properties.
研究成果
The PACS method successfully transformed centrosymmetric Y2(CO3)3·H2O into noncentrosymmetric (NH4)2Ca2Y4(CO3)9·H2O, exhibiting a significant SHG effect and deep-UV cut-off edge. The SHG effect is attributed to the ordered arrangement of (CO3)2- groups and enhanced dipole polarization of [Ca0.33Y0.67O9] polyhedra. This approach offers new strategies for designing NLO materials.
研究不足
The study focuses on the structural and nonlinear optical properties of YC and CYC, with limited discussion on potential applications beyond NLO materials. The synthesis method may require optimization for scalability.
1：Experimental Design and Method Selection:
The study employed subcritical hydrothermal method for synthesizing Y2(CO3)3·H2O (YC) and (NH4)2Ca2Y4(CO3)9·H2O (CYC) crystals. The structural evolution from centrosymmetric to noncentrosymmetric was achieved through partial substitution of Y3+ with Ca2+.
2：2+. Sample Selection and Data Sources:
2. Sample Selection and Data Sources: Single-crystal X-ray diffraction was used to determine the crystal structures. Elemental analysis confirmed the composition of the synthesized materials.
3：List of Experimental Equipment and Materials:
Subcritical hydrothermal synthesis setup, X-ray diffractometer, UV-vis diffuse reflectance spectrometer, SHG measurement setup.
4：Experimental Procedures and Operational Workflow:
Synthesis of YC and CYC crystals, structural characterization, UV-vis diffuse reflectance and SHG measurements.
5：Data Analysis Methods:
Bond valance sums (BVS), Lewis acidity values (LAV), bond strain index (BSI), and global instability index (GII) calculations were performed to analyze the structural stability and properties.
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