Synthesis, Characterization, and Theoretical Studies of (Pb4O)Pb2B6O14: A New Lead(II) Borate with Isolated Oxygen-Centered Pb4O Tetrahedra and Large Second Harmonic Generation Response
文献类型：期刊论文
| 作者 | Zhang, FF (Zhang, Fangfang) ; Zhang, FY (Zhang, Fangyuan); Lei, BH (Lei, Bing-Hua); Yang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie)
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| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
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| 出版日期 | 2016 |
| 卷号 | 120期号:23页码:12757-12764 |
| 通讯作者 | Yang, ZH |
| 英文摘要 | A new lead(II) borate, (Pb4O)Pb2B6O14, has been synthesized by low-temperature hydrothermal method. It crystallizes in the noncentrosymmetric polar space group P1 and structurally features a three-dimensional framework composed of paralleled spiral B6O14 chains connected by the Pb cations and isolated oxygen-Centered Pb4O tetrahedra. It exhibits a phase-matching powder second harmonic generation (SHG) effect of about 3.5 times that of KH2PO4 (KDP) at the 1064 nm fundamental wavelength. It also has optical band gap of 3.3 eV and high thermal stability up to 480 degrees C, which make it a promising candidate for nonlinear optical (NLO). material. In addition, electronic structure and NLO property are studied by the first-principles Method, and the calculated NLO coefficients are consistent with the experimental observations. The important contributions of Pb4O tetrahedra and the borate groups to the SHG response have been identified by the SHG-density method. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000378196200046 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/4655]  |
| 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, Key Lab Funct Mat & Devices Special Environm, Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, FF ,Zhang, FY ,Lei, BH ,et al. Synthesis, Characterization, and Theoretical Studies of (Pb4O)Pb2B6O14: A New Lead(II) Borate with Isolated Oxygen-Centered Pb4O Tetrahedra and Large Second Harmonic Generation Response[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2016,120(23):12757-12764. |
| APA | Zhang, FF ,Zhang, FY ,Lei, BH ,Yang, ZH ,&Pan, SL .(2016).Synthesis, Characterization, and Theoretical Studies of (Pb4O)Pb2B6O14: A New Lead(II) Borate with Isolated Oxygen-Centered Pb4O Tetrahedra and Large Second Harmonic Generation Response.JOURNAL OF PHYSICAL CHEMISTRY C,120(23),12757-12764. |
| MLA | Zhang, FF ,et al."Synthesis, Characterization, and Theoretical Studies of (Pb4O)Pb2B6O14: A New Lead(II) Borate with Isolated Oxygen-Centered Pb4O Tetrahedra and Large Second Harmonic Generation Response".JOURNAL OF PHYSICAL CHEMISTRY C 120.23(2016):12757-12764. |
入库方式： OAI收割
来源：新疆理化技术研究所
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