M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer
Dong Xiaoyu; Shi Yunjing; Zhou Zhongxiang; Pan Shilie; Yang Zhihua; Zhang Bingbing; Yang Yun; Chen Zhaohui; Huang Zhenjun
2013
发表期刊EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
ISSN1434-1948
期号2页码:203-207
摘要

Two new isostructural compounds, M2Cd3B16O28 (M = Rb, Cs), have been synthesized by a high-temperature solid-state reaction for the first time. M2Cd3B16O28 (M = Rb, Cs) crystallize in the monoclinic space group C2/c, with a = 21.4856(10) angstrom, b = 7.6852(4) angstrom, c = 13.3694(8) angstrom, beta = 91.705(3)degrees, Z = 4 for Rb2Cd3B16O28 and a = 21.621(3) angstrom, b = 7.6820(11) angstrom, c = 13.4170(18) angstrom, beta = 91.068(8)degrees, Z = 4 for Cs2Cd3B16O28. The compounds crystallize with (B16O34)(infinity) double layers bridged by Cd2+ cations to form three dimensional (3D) structures. The M+ (M = Rb, Cs) cations reside in the tunnels of the (B16O34)(infinity) double layers. First-principle electronic structure calculations show that the calculated band gaps of M2Cd3B16O28 (M = Rb, Cs) are 4.67 and 4.71 eV, respectively, which are in good agreement with the experimental values estimated from UV/Vis/NIR absorption spectroscopy by using the Kubelka-Munk equation, and the observed absorption peak is assigned as a charge transfer from the O 2p state to the Cd 5s state.

关键词Borates Semiconductors Solid-state Structures Alkali Metals
学科领域Chemistry
DOI10.1002/ejic.201201291
收录类别SCI
WOS记录号WOS:000316277000002
引用统计
被引频次:13[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/365002/2732
专题新疆维吾尔自治区电子信息材料与器件重点实验室
作者单位Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100039, Peoples R China
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Dong Xiaoyu,Shi Yunjing,Zhou Zhongxiang,et al. M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer[J]. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY,2013(2):203-207.
APA Dong Xiaoyu.,Shi Yunjing.,Zhou Zhongxiang.,Pan Shilie.,Yang Zhihua.,...&Huang Zhenjun.(2013).M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer.EUROPEAN JOURNAL OF INORGANIC CHEMISTRY(2),203-207.
MLA Dong Xiaoyu,et al."M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer".EUROPEAN JOURNAL OF INORGANIC CHEMISTRY .2(2013):203-207.
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