Structure, thermal stability and properties of Li3Sc(BO3)(2)
文献类型：期刊论文
| 作者 | Cai, GM ; Tao, XM ; Su, LM ; Zheng, F ; Yi, DQ ; Chen, XL ; Jin, ZP |
| 刊名 | JOURNAL OF SOLID STATE CHEMISTRY
 |
| 出版日期 | 2011 |
| 卷号 | 184期号:1页码:115 |
| 关键词 | GENERALIZED GRADIENT APPROXIMATION TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD CRYSTAL-STRUCTURE POWDER-DIFFRACTION BASIS-SET X-RAY SEMICONDUCTORS REFINEMENT LI3ALB2O6 |
| ISSN号 | 0022-4596 |
| 通讯作者 | Cai, GM (reprint author), Cent S Univ, Sci Ctr Phase Diagram & Mat Design & Manufacture, Changsha 410083, Hunan, Peoples R China. |
| 中文摘要 | Polycrystalline Li3Sc(BO3)(2) was synthesized through the solid-state reaction, which is air-, water- and thermal-stable below about 929 degrees C. Its crystal structure was resolved and refined on the basis of powder X-ray diffraction data. The metal-borate framework is built up from ScO6 octahedra connected to each other by sharing common edges, corners and faces of BO3 units and LiO4 groups. Coordination surrounding of B-O in this structure, [BO3](3-) group, was confirmed by an infrared absorption spectrum of an Li3Sc(BO3)(2). According to the electronic structure calculated by first-principles calculations, an Li3Sc(BO3)(2) is an insulator with a wide indirect energy band gap of about 4.4 eV. Considering the facile synthesis, large band gap, and thermal stability and excellent Tb3+-doped photoluminescence characteristics of this compound in general, it may be a good candidate as host of phosphors deposited on chip of the light-emitting diodes for white-color conversion. (C) 2010 Elsevier Inc. All rights reserved. |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [51002189, 50872144]; Central South University [761320470] |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/53639]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Cai, GM,Tao, XM,Su, LM,et al. Structure, thermal stability and properties of Li3Sc(BO3)(2)[J]. JOURNAL OF SOLID STATE CHEMISTRY,2011,184(1):115. |
| APA | Cai, GM.,Tao, XM.,Su, LM.,Zheng, F.,Yi, DQ.,...&Jin, ZP.(2011).Structure, thermal stability and properties of Li3Sc(BO3)(2).JOURNAL OF SOLID STATE CHEMISTRY,184(1),115. |
| MLA | Cai, GM,et al."Structure, thermal stability and properties of Li3Sc(BO3)(2)".JOURNAL OF SOLID STATE CHEMISTRY 184.1(2011):115. |
入库方式： OAI收割
来源：物理研究所
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