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

CORC > 新疆理化技术研究所 > 中国科学院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

	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
	Zhang, FF (Zhang, Fangfang); Zhang, FY (Zhang, Fangyuan); Lei, BH (Lei, Bing-Hua); Yang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie)
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	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
内容类型	期刊论文
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.