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Synthesis, structure and electronic calculation of alkali metals borate Li2Na[B5O8(OH)(2)]
Wang, Q (Wang, Qian); Wang, L (Wang, Li); Zheng, DD (Zheng, Dan-Dan); Zhang, BB (Zhang, Bing-Bing); Abulizi, Z (Abulizi, Zulipiya); Pan, SL (Pan, Shi-Lie); Yang, T (Yang, Tao)
2017
发表期刊INORGANIC CHEMISTRY COMMUNICATIONS
卷号79期号:5页码:104-108
摘要A new alkali metals borate complex, Li2Na[B5O8(OH)(2)], has been successfully synthesized by a facile hydrothermal method. Single-crystal X-ray diffraction analysis reveals that it crystallizes in orthorhombic space group Pbcn with a = 8.919(3) angstrom, b = 9.181(3) angstrom, c = 8.416(2) angstrom, Z = 4. The crystal structure is constructed of two dimensional (2D) [(B5O8)(OH)(2)](infinity) layers, while stacking along b axis and then connected by Li+ and Na+ cations to extend to 3D framework Li2Na[B5O8(OH)(2)]. UV-vis-NIR spectrum shows that Li2Na[B5O8(OH)(2)] possesses a wide range of transparency and a UV cut-off edge below 190 nm which indicates that it may be applied in the deep ultraviolet region. The calculated band structures and the density of states indicate that Li2Na[B5O8(OH)(2)] is a direct band gap compound with a band gap of 5.68 eV. In addition, IR spectroscopy, thermal stability and theoretical calculations of Li2Na[B5O8(OH)(2)] are also reported in this work.
关键词Borate Deep Ultraviolet Hydrothermal Reaction
收录类别SCI
WOS记录号WOS:000400211600025
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文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4773
专题材料物理与化学研究室
作者单位1.Xinjiang Normal Univ, Coll Chem & Chem Engn, Urumqi 830054, Peoples R China
2.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China
3.Hubei Univ, Coll Chem & Chem Engn, Wuhan 430062, Peoples R China
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Wang, Q ,Wang, L ,Zheng, DD ,et al. Synthesis, structure and electronic calculation of alkali metals borate Li2Na[B5O8(OH)(2)][J]. INORGANIC CHEMISTRY COMMUNICATIONS,2017,79(5):104-108.
APA Wang, Q .,Wang, L .,Zheng, DD .,Zhang, BB .,Abulizi, Z .,...&Yang, T .(2017).Synthesis, structure and electronic calculation of alkali metals borate Li2Na[B5O8(OH)(2)].INORGANIC CHEMISTRY COMMUNICATIONS,79(5),104-108.
MLA Wang, Q ,et al."Synthesis, structure and electronic calculation of alkali metals borate Li2Na[B5O8(OH)(2)]".INORGANIC CHEMISTRY COMMUNICATIONS 79.5(2017):104-108.
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