Synthesis, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M = Na, K)

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, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M = Na, K)
	Yu, Hongwei; Pan, Shilie; Wu, Hongping; Su, Xin; Yang, Zhihua
刊名	Journal of Alloys and Compounds
	2014
卷号	585 期号:5 页码:602-607
关键词	Inorganic materials X-ray diffraction Chemical synthesis Electronic band structure Optical properties
ISSN号	9258388
通讯作者	Pan, SL
英文摘要	Two ternary borates, MBaB5O9 (M = Na, K) have been synthesized by the flux method. Single-crystal X-ray diffraction analysis revealed that they crystallize in the same space group P21/c (No. 14). In their crystal structures, the basic building blocks are the B 5O9 double rings, which are further linked by corner-sharing to form a two-dimension (2D) infinite corrugated 1[B5O9]3 layer. However, since the 2D 1[B5O9]3 layers possess the different arrangement in NaBaB5O9 and KBaB5O9, they are not isostructural. In addition, the UVVisIR diffuse reflectance spectra exhibit that they have the relatively wide band gaps, 4.78 eV for NaBaB5O9 and 3.65 eV for KBaB5O9. The DSC analysis suggests that NaBaB5O9 melts congruently. And the first-principle theoretical studies are also carried out to aid the understanding of electronic structures and linear optical properties.
收录类别	SCI
WOS记录号	WOS:000327492600089
公开日期	2014-11-11
内容类型	期刊论文
源URL	[http://ir.xjipc.cas.cn/handle/365002/3803]
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	Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China;Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China; Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Yu, Hongwei,Pan, Shilie,Wu, Hongping,et al. Synthesis, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M = Na, K)[J]. Journal of Alloys and Compounds,2014,585(5):602-607.
APA	Yu, Hongwei,Pan, Shilie,Wu, Hongping,Su, Xin,&Yang, Zhihua.(2014).Synthesis, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M = Na, K).Journal of Alloys and Compounds,585(5),602-607.
MLA	Yu, Hongwei,et al."Synthesis, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M = Na, K)".Journal of Alloys and Compounds 585.5(2014):602-607.