Experimental and ab initio studies of two UV nonlinear optical materials
文献类型：期刊论文
| 作者 | Lu, JJ (Lu, Juanjuan); Shi, GQ (Shi, Guoqiang); Wu, HP (Wu, Hongping); Wen, M (Wen, Ming); Hou, DW (Hou, Dianwei); Yang, ZH (Yang, Zhihua) ; Zhang, FF (Zhang, Fangfang); Pan, SL (Pan, Shilie)
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| 刊名 | RSC ADVANCES
 |
| 出版日期 | 2017 |
| 卷号 | 7期号:33页码:20259-20265 |
| 通讯作者 | Wu, HP ; Zhang, FF ; Pan, SL |
| 英文摘要 | Two new acentric polyborates, Ba-3(OH)(B9O16)[B(OH)(3)] and Ba2.16Pb0.84(OH)(B9O16)[B(OH) 3] have been synthesized hydrothermally and their structures have been determined by single-crystal X-ray diffraction. Both crystals are isostructural and crystallize in the trigonal space group P31c (no. 159). Their structures feature a three-dimensional (3D) B9O19 framework with 6-membered-ring tunnels, in which the Ba or Pb/Ba cations and [B(OH)(3)] groups reside. Powder second-harmonic-generation (SHG) measurements reveal that Ba-3(OH)(B9O16)[B(OH)(3)] and Ba2.16Pb0.84(OH)(B9O16)[B(OH)(3)] are type-I phase-matchable, with SHG responses of 1.1x and 1.2x KH2PO4, respectively. UV-Vis-NIR diffuse reflectance analysis indicates that Ba-3(OH)(B9O16)[B(OH)(3)] and Pb0.29Ba2.71(OH)(B9O16)[B(OH)(3)] have band gaps of 5.11 and 4.65 eV, respectively. In addition, first-principles calculations were employed to elucidate the origin of the NLO properties and the relationship of structure-properties. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000399244200025 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/4800]  |
| 专题 | 新疆理化技术研究所_中国科学院特殊环境功能材料与器件重点试验室 新疆理化技术研究所_材料物理与化学研究室 |
| 作者单位 | 1.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm CAS, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Harbin Inst Technol, Sch Chem & Chem Engn, Harbin 150001, Heilongjiang, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lu, JJ ,Shi, GQ ,Wu, HP ,et al. Experimental and ab initio studies of two UV nonlinear optical materials[J]. RSC ADVANCES,2017,7(33):20259-20265. |
| APA | Lu, JJ .,Shi, GQ .,Wu, HP .,Wen, M .,Hou, DW .,...&Pan, SL .(2017).Experimental and ab initio studies of two UV nonlinear optical materials.RSC ADVANCES,7(33),20259-20265. |
| MLA | Lu, JJ ,et al."Experimental and ab initio studies of two UV nonlinear optical materials".RSC ADVANCES 7.33(2017):20259-20265. |
入库方式： OAI收割
来源：新疆理化技术研究所
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