Effect of the [Ba2BO3F](infinity) Layer on the Band Gap: Synthesis, Characterization, and Theoretical Studies of BaZn(2)B(2)O(6 center dot)nBa(2)BO(3)F (n=0, 1, 2)

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	Effect of the [Ba2BO3F](infinity) Layer on the Band Gap: Synthesis, Characterization, and Theoretical Studies of BaZn(2)B(2)O(6 center dot)nBa(2)BO(3)F (n=0, 1, 2)
	Wu, HP (Wu, Hongping); Su, X (Su, Xin); Han, SJ (Han, Shujuan); Yang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie)
刊名	INORGANIC CHEMISTRY
	2016
卷号	55 期号:10 页码:4806-4812
通讯作者	Pan, SL
英文摘要	Two new zincoborate fluorides with the common formula BaZn2B2O6 center dot nBa(2)BO(3)F (n = 1, 2) have been successfully synthesized for the relationship study between the band gaps and crystal structures in zinc-containing borate fluorides. Ba3Zn2B3O9F with n = 1 in the common formula belongs to the orthorhombic space group Pnrrza (No. 20), and Ba5Zn2B4O12F2 with n = 2 in the common formula crystallizes in the monoclinic space group C2/c (No. 62). They can'both be seen as compounds with the n[Ba2BO3F](infinity) (n = 1 or 2) layer inserted in the structure of BaZn2B2O6. UV-vis-near-IR diffuse-reflectance spectra show that the band gaps of BaZn(2)B(2)O(6 center dot)nBa(2)BO(3)F (n = 0, 1, 2) gradually increase with more [Ba2BO3F], layers inserted. The first-principles calculation indicates that the inserted n[Ba2BO3](infinity) layers spectra, thermal behaviors, and refractive indices of these compounds are also studied.
收录类别	SCI
WOS记录号	WOS:000376144000015
内容类型	期刊论文
源URL	[http://ir.xjipc.cas.cn/handle/365002/4662]
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, 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	Wu, HP ,Su, X ,Han, SJ ,et al. Effect of the [Ba2BO3F](infinity) Layer on the Band Gap: Synthesis, Characterization, and Theoretical Studies of BaZn(2)B(2)O(6 center dot)nBa(2)BO(3)F (n=0, 1, 2)[J]. INORGANIC CHEMISTRY,2016,55(10):4806-4812.
APA	Wu, HP ,Su, X ,Han, SJ ,Yang, ZH ,&Pan, SL .(2016).Effect of the [Ba2BO3F](infinity) Layer on the Band Gap: Synthesis, Characterization, and Theoretical Studies of BaZn(2)B(2)O(6 center dot)nBa(2)BO(3)F (n=0, 1, 2).INORGANIC CHEMISTRY,55(10),4806-4812.
MLA	Wu, HP ,et al."Effect of the [Ba2BO3F](infinity) Layer on the Band Gap: Synthesis, Characterization, and Theoretical Studies of BaZn(2)B(2)O(6 center dot)nBa(2)BO(3)F (n=0, 1, 2)".INORGANIC CHEMISTRY 55.10(2016):4806-4812.