molybdenum diboride

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: molybdenum diboride
• 英文别名: molybdenium diboride
• 化学式: B₂Mo
• 分子量: 117.562
• InChiKey: NJXPUFIXPDEVNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.37
• 重原子数：
  3.0
• 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：

  molybdenum diboride 、 二丁基镁 以 正庚烷 为溶剂， 生成
  参考文献：
  名称：

  镁的非水电化学

  摘要：

  讨论了基于有机电解质和能够可逆嵌入 Mg{sup + 2} 离子的正极构建环境温度可充电镁电池的研究。与碱金属相比，Mg 提供合理电池性能的溶剂、溶质和嵌入阴极的组合数量受到更多限制。唯一允许镁溶解和沉积的电解质是有机镁化合物在醚或叔胺中的溶液；其中许多在过渡金属氧化物或硫化物的存在下不稳定，这些氧化物或硫化物被发现用作嵌入电极是可以接受的。讨论了可以解决这些问题的未来研究的可能方向，以及镁化合物在非水溶剂中行为的理论方面。

  DOI：

  10.1149/1.2086553
• 作为产物：
  描述：

  硼烷 、 钼 反应 0.25h， 生成 molybdenum diboride
  参考文献：
  名称：

  Exploring the high pressure behavior of 2D and quasi-3D boron layers in MoB₂

  摘要：

  研究了α-钼硼化物（α-MoB2，P6/mmm）和β-钼硼化物（β-MoB2，Rm）在 32.1 GPa 和 35.5 GPa 压力下的高压行为。α-MoB2 和 β-MoB2 的体积模量值分别为 317 GPa 和 299 GPa，符合 Birch-Murnaghan 状态方程。本研究再次证实了 MoB2 的可压缩性主要取决于电子浓度，而与结构差异关系不大。在 26.6 GPa 时，β-MoB2 中出现了异常二阶转变，导致结构软化并改变了 β-MoB2 的各向异性。β-MoB2在高压下的异常转变可能是由于皱褶硼层中B2-B2-B2角度的限制。这些结果将促进对过渡金属硼化物（TMBs）力学性能的进一步了解，并将有助于使用 TMBs 设计硬质或超硬材料。

  DOI：

  10.1039/c4ra09527h

文献信息

• Preparation of MoB₂ Nanoparticles by Electrolysis of MoS₂/B Mixture in Molten NaCl-KCl at 700 °C
  作者：Xianglin Liu、Yongsong Ma、Peng Li、Huayi Yin、Dihua Wang

  DOI：10.1149/1945-7111/ac41f4

  日期：2021.12.1

  employs the low-cost MoS2 feedstock and the boronization reaction happens at a low temperature of 700 °C. The electrochemically induced boronization involves two steps: the electrochemical desulfurization to generate Mo and the reaction of Mo with B to form MoB2. The S2− released from the reduction of MoS2 transfers to the carbon anode and is oxidized to sulfur gas, realizing a green synthetic process

  MoB 2是通过在 700 °C 的熔融 NaCl-KCl 中电化学还原固体 MoS 2 /B 混合物来合成的。与传统方法不同，电解法采用低成本的MoS 2原料，硼化反应在700℃的低温下进行。电化学诱导硼化包括两个步骤：电化学脱硫生成Mo和Mo与B反应生成MoB 2。MoS 2还原后释放的S 2-转移到碳阳极并被氧化成硫磺气体，实现了绿色合成工艺。此外，MoS 2摩尔比的影响并研究了非晶硼和电解槽电压对电解产物相组成和形貌的影响。得到的MoB 2颗粒具有均匀的结节状形态。总体而言，本文提供了一种使用经济实惠的原材料在低温下制备 MoB 2纳米颗粒的简单且绿色的工艺，并且该方法可以扩展到制备其他硼化物。
• Enhanced Vickers hardness by quasi-3D boron network in MoB2
  作者：Qiang Tao、Xueping Zhao、Yanli Chen、Jia Li、Quan Li、Yanming Ma、Junjun Li、Tian Cui、Pinwen Zhu、Xin Wang

  DOI：10.1039/c3ra42741b

  日期：——

  Molybdenum borides including α-MoB2 and β-MoB2 have been successfully synthesized from boron and molybdenum at high pressure and high temperature (HPHT). The crystalline structures are confirmed by Rietveld refinements in the hexagonal (P6/mmm) and rhombohedral (R-3m) crystal systems for α- and β-MoB2, respectively. The values of Vickers hardness (HV) are 15.2 GPa for α-MoB2, which is firstly obtained, and 22.0 GPa for β-MoB2. The hardness results for α- and β-MoB2 are in good agreement with theoretical values calculated by first-principle calculations. The difference in hardness between α- and β-MoB2 is attributed to the puckered quasi-3D (three dimensional) boron layers in β-MoB2 which is confirmed by the calculated results of the Electron Localization Function (ELF) and elastic constants. These results are helpful to understand the hardness mechanism and to design superhard transition-metal borides (TMBs).

  在高压高温（HPHT）条件下，成功地从硼和钼合成了包括 α-MoB2 和 β-MoB2 在内的钼硼化物。通过里特维尔德（Rietveld）细化，α- MoB2 和 β-MoB2 的晶体结构分别被确认为六方晶系（P6/mmm）和斜方晶系（R-3m）。首次获得的 α-MoB2 维氏硬度 (HV) 值为 15.2 GPa，β-MoB2 为 22.0 GPa。α- 和 β-MoB2 的硬度结果与第一原理计算得出的理论值十分吻合。α- 和 β-MoB2 之间的硬度差异是由于 β-MoB2 中的准三维（三维）硼层起皱造成的，这一点在电子定位功能（ELF）和弹性常数的计算结果中得到了证实。这些结果有助于理解硬度机理和设计超硬过渡金属硼化物（TMB）。
• Thermal expansion studies on the group IV–VII transition metal diborides
  作者：Bertil Lönnberg

  DOI：10.1016/0022-5088(88)90219-6

  日期：1988.7
• A novel route to nanosized molybdenum boride and carbide and/or metallic molybdenum by thermo-synthesis method from MoO3, KBH4, and CCl4
  作者：Yuanzhi Li、Yining Fan、Yi Chen

  DOI：10.1016/s0022-4596(02)00044-0

  日期：2003.1

  Nanosized molybdenum boride and carbide were synthesized from MoO3, KBH4, and CCl4 by thermo-synthesis method at lower temperature. The relative content of Mo, Mo2C, and molybdenum boride in the product was decided by the molar ratio between MoO3, KBH4, and CCl4. Increasing the molar ratio Of CCl4 to MoO3 was favorable to the production Of Mo2C. Increasing the molar ratio of KBH4 to MoO3 was favorable to the production of molybdenum boride. By carefully adjusting the reaction conditions and annealing in Ar at 900degreesC, a single phase of MOB could be obtained. (C) 2002 Elsevier Science (USA). All rights reserved.
• Radial X-ray diffraction study of the static strength and equation of state of MoB 2 to 85 GPa
  作者：Lun Xiong、Jing Liu、Xinxin Zhang、Qiang Tao、Pinwen Zhu

  DOI：10.1016/j.jallcom.2014.11.010

  日期：2015.2

  Investigations of strength and equation of state of alpha-MoB2 have been performed under nonhydrostatic compression up to 85 GPa using an angle-dispersive radial X-ray diffraction (RXD) techniques together with the lattice strain theory in a 2-fold panoramic diamond anvil cell at ambient temperature. The RXD data yields a bulk modulus and its pressure derivative as K-0 = 323(6) GPa with K-0' = 4.59(27). The ratio of t/G is found to remain constant above similar to 44 GPa, indicating that the alpha-MoB2 started to experience yield with plastic deformation at this pressure. Together with theoretical results on high-pressure shear modulus, our results here show that molybdenum diborides sample could support a differential stress of similar to 18 GPa when it started to yield with plastic deformation at similar to 44 GPa under uniaxial compression. A maximum differential stress, as high as similar to 25 GPa can be supported by molybdenum diborides at the high pressure of similar to 85 GPa. (C) 2014 Elsevier B.V. All rights reserved.