| 116128-64-4

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• CAS: 116128-64-4
• 化学式: AgInSSe
• 分子量: 333.714
• InChiKey: NVMPGELYFKCZNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.99
• 重原子数：
  4.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  selenium 、 银 、 indium 、 sulfur 以 melt 为溶剂， 生成
  参考文献：
  名称：

  Optical and electrical properties of AgIn(SSe)2 crystals

  摘要：

  AgIn(SxSe1-x)(2) (X = 0-1.0) crystals were grown by a vertical gradient freezing (VGF) method. All samples indicated chalcopyrite structures and n-types by means: of X-ray diffraction (XRD) and thermoprobe analysis, respectively. All crystals were slightly found to be Se- and S-rich by the electron probe microanalysis (EPMA). The samples were also In-poor in X <0.5 and Ag-poor in X >0.5. The AgIn(S0.5Se0.5)(2) (X = 0.5) crystal was mostly close to the stoichiometry. Lattice constants of a and c axes calculated by the XRD patterns were found to be proportional to X, indicating that they obeyed Vegard's law. In the photoluminescence (PL) spectra at 77 K, the crystals were highly pure because a free exciton (FE) emission line was clearly observed. It was clear that the FE peak energy showed a nonlinear dependence on the composition X values in the AgIn(SXSe1-X)(2) crystal. The bowing parameter was estimated to be 0.25 eV. After the AgInSe2 crystal was annealed at 640 degreesC under a vacuum atmosphere in the AgInSe2 crystals, the optical quality was improved because the FE peak clearly appeared and the donor-acceptor pair emission band disappeared in the PL spectra. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0921-4526(01)00453-7