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; Pan, SL
2014
发表期刊Journal of Alloys and Compounds
ISSN9258388
卷号585期号:5页码:602-607
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.
关键词Inorganic Materials X-ray Diffraction Chemical Synthesis Electronic Band Structure Optical Properties
DOI10.1016/j.jallcom.2013.09.120
收录类别SCI
WOS记录号WOS:000327492600089
引用统计
被引频次:7[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/3803
专题中国科学院特殊环境功能材料与器件重点试验室
通讯作者Pan, SL
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
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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,&Pan, SL.(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.
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