magnesium antimonide

• 分子结构分类: 无机化合物 - 无机盐 - 无机锑盐
• 英文名称: magnesium antimonide
• 英文别名: magnesium dihydride;stibane
• 化学式: Mg₃Sb₂
• 分子量: 316.415
• InChiKey: CRDKDIIWSWJABI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.12
• 重原子数：
  5.0
• 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

• 作为反应物：
  描述：

  magnesium antimonide 以 neat (no solvent) 为溶剂， 生成 亚锑氢化物 、 magnesium oxide 、 magnesium
  参考文献：
  名称：

  Thermoelectric properties and microstructure of Mg3Sb2

  摘要：

  Mg3Sb2 has been prepared by direct reaction of the elements. Powder X-ray diffraction, thermal gravimetric, differential scanning calorimetery, and microprobe data were obtained on hot pressed samples. Single phase samples of Mg3Sb2 were prepared and found to contain oxygen at the grain boundaries and to lose Mg and oxidize at temperatures above 900K. Thermoelectric properties were characterized by Seebeck, electrical resistivity, and thermal conductivity measurements from 300 to 1023 K, and the maximum zT was found to be 0.21 at similar to 875 K. (c) 2006 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2006.01.034
• 作为产物：
  描述：

  亚锑氢化物 、 magnesium 599.84 ℃ 、50.0 MPa 条件下， 反应 2.17h， 生成 magnesium antimonide
  参考文献：
  名称：

  Enhanced thermoelectric performance in Mg_3+xSb_1.5Bi_0.49Te_0.01via engineering microstructure through melt-centrifugation

  摘要：

  通过采用熔体离心法，在 n 型 Zintl 相 Mg3+xSb1.5Bi0.49Te0.01 的微观结构中引入了多孔性和位错，从而显著降低了 κl（723 K 时为 0.33 W m-1 K-1），增强了 zT（723 K 时为 1.64）。

  DOI：

  10.1039/d0ta09993g

文献信息

• Investigation on the microstructure, mechanical properties and corrosion behavior of Mg-Sb and Mg-Sb-Si alloys
  作者：R. Rajeshkumar、Jithu Jayaraj、A. Srinivasan、U.T.S. Pillai

  DOI：10.1016/j.jallcom.2016.08.219

  日期：2017.1

  superior tensile, creep and corrosion properties in comparison to that of other studied alloys. The significant improvement in tensile properties at ambient temperature was associated with the dendrite refinement and presence of optimum amount of Mg 3 Sb 2 intermetallics along with Mg 2 Si intermetallics. Moreover, the presence of thermally stable Mg 3 Sb 2 and Mg 2 Si intermetallic phases in the ternary

  摘要 在目前的研究工作中，新设计的 Mg-Sb（2、4、6 和 8 重量％）和 Mg-4Sb-Si（2 和 4 重量％）合金的显微组织、力学性能和腐蚀行为被调查。结果表明，二元合金的显微组织由α-Mg和Mg 3 Sb 2 组成，而三元Mg-4Sb-Si（2, 4 wt%）合金的显微组织由α-Mg、Mg 3 Sb 2 和Mg 2 组成。 Si金属间相。与其他研究的合金相比，Mg-4Sb-4Si 合金表现出优异的拉伸、蠕变和腐蚀性能。环境温度下拉伸性能的显着改善与枝晶细化和存在最佳量的 Mg 3 Sb 2 金属间化合物以及 Mg 2 Si 金属间化合物有关。而且，三元合金中热稳定的Mg 3 Sb 2 和Mg 2 Si金属间相的存在限制了高温下的晶界滑动和位错运动，从而提高了抗蠕变性。金属间化合物在镁合金的腐蚀行为中起关键作用。增加Mg-Sb合金中Mg 3 Sb 2 的体积会降低合金的耐蚀性，而Mg
• Simultaneous improvement of power factor and thermal conductivity via Ag doping in p-type Mg₃Sb₂ thermoelectric materials
  作者：Lirong Song、Jiawei Zhang、Bo B. Iversen

  DOI：10.1039/c6ta08316a

  日期：——

  Mg3Sb2-based Zintl compounds are potential thermoelectric materials for power generation due to their earth-abundant component elements. Pure Mg3Sb2, however, exhibits an intrinsically low p-type carrier concentration at room temperature. Density functional theory calculations of p-type Mg3Sb2 suggest that the carrier density can be tuned by doping at the Mg sites without significant modification of

  基于Mg 3 Sb 2的Zintl化合物因其富含地球的组成元素而成为发电的潜在热电材料。但是，纯Mg 3 Sb 2在室温下表现出本质上较低的p型载流子浓度。p型Mg 3 Sb 2的密度泛函理论计算表明，可以通过在Mg位点掺杂来调节载流子密度，而无需对价带进行显着改变，并且最佳掺杂浓度预计为4.0×10 19 cm -3。。在这里，我们已经成功地合成了Ag掺杂的Mg 3 Sb 2。样品采用一步火花等离子体烧结法。相对于未掺杂样品，所有掺银样品均显示出增加的载流子浓度和增强的霍尔迁移率，从而导致电阻率显着降低。由于功率因数和热导率的同时提高，Ag掺杂样品的zT值大大提高。在Mg 2.985 Ag 0.015 Sb 2中，在725 K下获得了0.51的最佳值，这比未掺杂样品的最佳值大2.4倍。镁2.985 Ag 0.015 Sb 2中的平均zT估计为0.21，优于先前关于钠掺杂镁的报告。3 Sb
• Enhanced Thermoelectric Properties of n‐type Mg ₃ Sb ₂ by Excess Magnesium and Tellurium Doping
  作者：Yangzhong Wang、Xin Zhang、Yang Wang、Hongliang Liu、Jiuxing Zhang

  DOI：10.1002/pssa.201800811

  日期：2019.3

  Mg3Sb2 shows poor comprehensive thermoelectric properties mainly because its conductivity is very poor, despite it has very low thermal conductivity. Excess Mg combined with small amount of Te doping can control carrier type and carrier concentration. The semiconductor and metallic transport mechanism coordinate to control the electrical transport characteristics and improve the electrical transport

  镁3锑2尽管其热导率很低，但其热电性能综合较差，主要是因为其导电率很差。过量的Mg与少量的Te掺杂相结合可以控制载流子类型和载流子浓度。半导体和金属输运机制协调控制电输运特性并提高电输运性能。 Mg的晶格导热系数3锑2Te掺杂后降低。 Mg 的最大 ZT 值为 0.783.2锑1.99碲0.01773 K。
• Anisotropic Structural Collapse of Mg₃Sb₂ and Mg₃Bi₂ at High Pressure
  作者：Mario Calderón-Cueva、Wanyue Peng、Samantha M. Clarke、Jingxuan Ding、Benjamin L. Brugman、Gill Levental、Ashiwini Balodhi、Megan Rylko、Olivier Delaire、James P. S. Walsh、Susannah M. Dorfman、Alexandra Zevalkink

  DOI：10.1021/acs.chemmater.0c03678

  日期：2021.1.26

  Alloys between Mg3Sb2 and Mg3Bi2 have recently been shown to be exceptional thermoelectric materials due in part to their anomalously low thermal conductivity. In the present study, in situ high-pressure synchrotron X-ray diffraction was used to investigate the structure and bonding in Mg3Sb2 and Mg3Bi2 at pressures up to 50 GPa. Our results confirm prior predictions of isotropic in-plane and out-of-plane compressibility but reveal large disparities between the bond strength of the two distinct Mg sites. Using single-crystal diffraction, we show that the octahedral Mg–Sb bonds are significantly more compressible than the tetrahedral Mg–Sb bonds in Mg3Sb2, which lends support to prior arguments that the weaker octahedral Mg bonds are responsible for the anomalous thermal properties of Mg3Sb2 and Mg3Bi2. Further, we report the discovery of a displacive and reversible phase transition in both Mg3Sb2 and Mg3Bi2 above 7.8 and 4.0 GPa, respectively. The transition to the high-pressure structure involves a highly anisotropic volume collapse, in which the out-of-plane axis compresses significantly more than the in-plane axes. Single-crystal diffraction at high pressure was used to solve the monoclinic high-pressure structure (C2/m), which is a distorted variant of the ambient-pressure structure containing four unique Mg coordination environments.

  Mg3Sb2 和 Mg3Bi2 之间的合金最近被证明是一种特殊的热电材料，部分原因是它们具有异常低的热导率。本研究采用原位高压同步辐射 X 射线衍射法研究了 和 Mg3Bi2 在高达 50 GPa 压力下的结构和成键情况。我们的研究结果证实了之前对各向同性面内和面外可压缩性的预测，但揭示了两个不同镁位点的键合强度之间的巨大差异。通过单晶衍射，我们发现八面体 Mg-Sb 键的可压缩性明显高于 中的四面体 Mg-Sb 键，这支持了之前的观点，即较弱的八面体 Mg 键是 和 Mg3Bi2 热性质异常的原因。此外，我们还报告了在 和 Mg3Bi2 中分别发现了高于 7.8 和 4.0 GPa 的置换和可逆相变。向高压结构的转变涉及高度各向异性的体积塌缩，其中面外轴的压缩明显大于面内轴。高压下的单晶衍射被用来求解单斜高压结构（C2/m），它是常压结构的变形变体，包含四个独特的镁配位环境。
• Electrochemical Mg alloying properties along the Sb1-xBix solid solution
  作者：Fabrizio Murgia、Danielle Laurencin、Ephrem Terefe Weldekidan、Lorenzo Stievano、Laure Monconduit、Marie-Liesse Doublet、Romain Berthelot

  DOI：10.1016/j.electacta.2017.10.170

  日期：2018.1

  reversible alloying reaction, whereas antimony displays no electrochemical activity. Taking advantage of the complete SbBi solid solution, monophasic compositions Sb1-xBix were prepared by high-energy mechanochemical synthesis and characterized by X-ray diffraction and solid-state 25Mg nuclear magnetic resonance spectroscopy. The electrochemical magnesiation at low current rate shows a full alloying process

  尽管锑和铋之间在物理和化学上有很强的相似性，但在其微米级粉末的电化学放大倍数中观察到了明显的行为。铋经历了完全且高度可逆的合金化反应，而锑则没有电化学活性。利用完整的Sb Bi固溶体，通过高能机械化学合成制备单相组合物Sb 1-x Bi x，并通过X射线衍射和固态25 Mg核磁共振波谱进行表征。低电流速率下的电化学放大显示了Sb 1-x Bi x基电极的完整合金化过程，导致单相Mg 3（Sb 1-x Bi x）2。锑和铋的这种化学缔合可对电极的电化学放大产生积极影响，并且与Bi基电极相比，可实现更高的比容量。然而，这种协同作用仅在标称放电中起作用，因为在随后的充电中观察到不可逆的容量损失，该容量损失与锑含量成比例。Operando XRD显示了一个复杂的偏析过程，导致在装料结束时产生纯铋和Mg 3 Sb 2，这通过密度泛函理论计算进一步合理化为Mg 3（Sb 1-x Bi x）的不稳定性2固溶体。