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作者:

Chen, Xuean (Chen, Xuean.) | Chen, Yanjun (Chen, Yanjun.) | Sun, Chong (Sun, Chong.) | Chang, Xinan (Chang, Xinan.) | Xiao, Weiqiang (Xiao, Weiqiang.)

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EI Scopus SCIE

摘要:

A new barium sodium zincoborate, Ba4Na2Zn4(B3O6)(2)(B12O24), has been prepared by solid state reaction method below 750 degrees C. Single-crystal XRD analysis showed that it crystallizes in the triclinic space group P (1) over bar with a = 7.0288(14) angstrom, b = 7.0687(14) angstrom, c = 17.501(4) angstrom, alpha = 91.92(3)degrees, beta = 96.46(3)degrees, gamma = 119.72(3)degrees, Z = 1. The crystal structure exhibits complicated porous anionic layers composed of ZnO4 tetrahedra, [B3O6](3) rings with notation of 3[3 Delta], and [B12O24](12) groups built up from four BO4 tetrahedra and eight BO3 triangles with notation of 2 x {2 x (3[2 Delta + 1T])}. The anionic layers stack along c-axis, with the intralayer open channels and interlayer void spaces occupied by Na+ or Ba2+ cations to balance charge. The IR spectrum further confirmed the presence of both BO3 and BO4 groups. UV-vis diffuse reflectance spectrum revealed a band gap of about 3.13 eV. Solid-state fluorescence spectrum exhibited abroad emission band at around 540 nm. Band structure calculations indicated that it is an indirect band material with the calculated band gap of about 4.278 eV. (C) 2013 Elsevier B.V. All rights reserved.

关键词:

Band structure Crystal structure Borate Ba4Na2Zn4B18O36

作者机构:

  • [ 1 ] [Chen, Xuean]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Chen, Yanjun]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Sun, Chong]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Chang, Xinan]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Xiao, Weiqiang]Beijing Univ Technol, Inst Microstruct & Property Adv Mat, Beijing 100124, Peoples R China

通讯作者信息:

  • [Chen, Xuean]Beijing Univ Technol, Coll Mat Sci & Engn, Ping Le Yuan 100, Beijing 100124, Peoples R China

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来源 :

JOURNAL OF ALLOYS AND COMPOUNDS

ISSN: 0925-8388

年份: 2013

卷: 568

页码: 60-67

6 . 2 0 0

JCR@2022

ESI学科: MATERIALS SCIENCE;

JCR分区:1

中科院分区:1

被引次数:

WoS核心集被引频次: 39

SCOPUS被引频次: 38

ESI高被引论文在榜: 0 展开所有

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