Syntheses, crystal structures and characterization of three alkaline metal borates
文献类型：期刊论文
| 作者 | Sambasivam, S (Sambasivam, Sangaraju); Liu, LL (Liu, Lili); Yang, Y (Yang, Yun) ; Han, GP (Han, Guopeng); Bashir, B (Bashir, Beenish); Yang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie)
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| 刊名 | CRYSTENGCOMM
 |
| 出版日期 | 2017 |
| 卷号 | 19期号:18页码:2561-2569 |
| 通讯作者 | Yang, Y ; Pan, SL |
| 英文摘要 | Three alkaline metal borates Cs2B7O9(OH)(5), K2B4O5(OH)(4).H2O, and K2B4O5(OH)(4).3.6H(2)O have been synthesized by a hydrothermal method. They were structurally characterized by single crystal X-ray diffraction. In the three compounds, the B-O anionic groups are all isolated, which are combined through the Cs/K-O polyhedra to form a three-dimensional (3D) network. The cationic framework presents different dimensions in Cs2B7O9(OH)(5), K2B4O5(OH)(4).H2O and K2B4O5(OH)(4).3.6H(2)O. For Cs2B7O9(OH)(5), which has been reported before, we obtained its large-scale crystal and the UV-vis diffuse reflectance spectral data of Cs2B7O9(OH)(5) indicate that it has a UV cut-off edge of 209 nm which corresponds to an energy gap of 5.93 eV. Theoretical calculations were carried out to evaluate the band gaps of the title compounds, which illuminate that the replacement of K enlarges the band gap. Besides, the structural discrepancy among Cs2B7O9(OH)(5), K2B4O5(OH)(4).H2O and K2B4O5(OH)(4).3.6H(2)O is compared to analyze the effect of the cation number on the polymerization degree of the B-O anionic groups. Density functional theory calculations were employed to evaluate the band structures and the density of states suggest that Cs2B7O9(OH)(5) and K2B4O5(OH)(4).H2O possess wide band gaps of 5.23 and 5.24 eV, respectively. Meanwhile, the large-scale crystal of Cs2B7O9(OH)(5) was obtained. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000401015000015 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/4790]  |
| 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 |
| 推荐引用方式 GB/T 7714 | Sambasivam, S ,Liu, LL ,Yang, Y ,et al. Syntheses, crystal structures and characterization of three alkaline metal borates[J]. CRYSTENGCOMM,2017,19(18):2561-2569. |
| APA | Sambasivam, S .,Liu, LL .,Yang, Y .,Han, GP .,Bashir, B .,...&Pan, SL .(2017).Syntheses, crystal structures and characterization of three alkaline metal borates.CRYSTENGCOMM,19(18),2561-2569. |
| MLA | Sambasivam, S ,et al."Syntheses, crystal structures and characterization of three alkaline metal borates".CRYSTENGCOMM 19.18(2017):2561-2569. |
入库方式： OAI收割
来源：新疆理化技术研究所
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