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学科主题: Chemistry
题名: M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer
作者: Dong Xiaoyu; Shi Yunjing; Zhou Zhongxiang; Pan Shilie; Yang Zhihua; Zhang Bingbing; Yang Yun; Chen Zhaohui; Huang Zhenjun
关键词: Borates ; Semiconductors ; Solid-state structures ; Alkali metals
刊名: EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
发表日期: 2013
DOI: 10.1002/ejic.201201291
期: 2, 页:203-207
收录类别: SCI
资助者: National Key Basic Research Program of China 2012CB626803; National Natural Science Foundation of China U1129301, 51172277, 21101168, 11104344; Main Direction Program of Knowledge Innovation of Chinese Academy of Sciences KJCX2-EW-H03-03; "One Hundred Talents Project Foundation Program" of the Chinese Academy of Sciences; Major Program of Xinjiang Uygur Autonomous Region of China 201130111; "High Technology Research and Development Program" of Xinjiang Uygur Autonomous Region of China 201116143
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.
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/2732
Appears in Collections:新疆维吾尔自治区电子信息材料与器件重点实验室_期刊论文

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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

Recommended Citation:
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.
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文件名: M2Cd3B16O28 (M = Rb, Cs) Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer.pdf
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