ferrotitanium

• 分子结构分类: 无机化合物 - 均相金属化合物 - 均相过渡金属化合物
• 英文名称: ferrotitanium
• 化学式: Fe₂Ti
• 分子量: 159.574
• InChiKey: BFJYQEPWZIFNMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  氨 、 ferrotitanium 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Nitrogen Absorption and Desorption Characteristics for CeFe₇

  摘要：

  通过在 NH3 或 N2 中加热进行氮化和在 H2 中加热进行脱氮，对 CeFe7 和 Ce2Fe17 进行了可逆的氮吸收和解吸循环。由于 CeFe7 的氮扩散速率高，CeFe7 的氮吸收和解吸速率比 Ce2Fe17 快，因此 CeFe7 的氮吸收和解吸性能优于 Ce2Fe17。

  DOI：

  10.1246/cl.2001.294
• 作为产物：
  描述：

  铁合金,非基本元素,Fe,Ti 以 neat (no solvent, solid phase) 为溶剂， 生成 ferrotitanium
  参考文献：
  名称：

  Magnetic properties of Ti–Fe alloy powders prepared by mechanical grinding

  摘要：

  The magnetic properties of two intermetallic compounds, TiFe and TiFe2 phase, in the Ti-Fe system alloy are studied. The TiFe phase known as a hydrogen absorption material is paramagnetic. Mechanical grinding of the TiFe phase results in decomposition into TiFe2 and amorphous phases. The TiFe2 phase is found to be ferromagnetic at room temperature with a saturation magnetization of around 80 emu/g. The Curie temperature of the TiFe2 phase is determined to be 430 K in a vibrating sample magnetometer. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0925-8388(03)00532-2
• 作为试剂：
  描述：

  氨 在 ferrotitanium 作用下， 以 neat (no solvent) 为溶剂， 生成 氮
  参考文献：
  名称：

  Nitrogenation and Hydrogenation Characteristics of Transition Metal−Iron Intermetallic Compounds

  摘要：

  Nitrogenation for the intermetallic compounds such as MFe2 (M = Ti, Zr, Nb, and Mo) or M'Fe (M' = Ti and V) and the subsequent hydrogenation for the resulting interstitial metal nitrides were carried out to characterize their nitrogen storage properties by heating in a NH3-H-2 mixed gas or N-2 gas at 450-500 degrees C for the former reaction and in H-2 gas at 450 degrees C for the latter one, respectively. Among the intermetallic compounds, the Laves-type MFe2 and the CrFe-type VFe compounds absorbed large amounts of nitrogen into their crystal lattices to transform into amorphous-like a-MFe2Nx and a-VFeNx. They reversibly desorbed nitrogen by the following hydrogenation with maintaining the amorphous-like structure. Qualitative and quantitative analyses of the nitrogen species generated in the desorption step revealed that most of the nitrogen released from the metal nitrides readily reacted with hydrogen to produce ammonia owing to the high reactivity of the atomic nitrogen stored in the intermetallic compounds. Furthermore, the amorphous-like a-TiFe2Nx-delta derived by the nitrogenation in the NH3-H-2 mixed gas and the subsequent hydrogenation in H-2 gas absorbed nitrogen even in N-2 gas at 500 degrees C as loaded with a Ru/Al2O3 catalyst on the surface. The nitrogen stored was also reversibly desorbed as ammonia, suggesting that the molecular nitrogen was converted to ammonia under ambient pressure via the nitrogen absorption - desorption cycle of (Ru/Al2O3/a-TiFe2Nx)/(Ru/Al2O3/a-TiFe2Nx-delta).

  DOI：

  10.1021/jp9916182

文献信息

• Thermal decomposition of ThMn12-type phase and its optimum stabilizing elements in SmFe12-based alloys
  作者：I. Dirba、Y. Harashima、H. Sepehri-Amin、T. Ohkubo、T. Miyake、S. Hirosawa、K. Hono

  DOI：10.1016/j.jallcom.2019.152224

  日期：2020.1

  the phase stability of SmFe12-based compounds by experimental and computational first-principles approaches. The effect of particle size and alloy composition on the thermal decomposition rate is addressed. We show that decomposition begins with Sm evaporation from particle surface, resulting in the formation of α-Fe and Fe2Ti phases. The decomposition rate scales inversely with particle size. A significant

  摘要 我们通过实验和计算第一性原理方法研究了 SmFe12 基化合物的相稳定性。解决了粒度和合金成分对热分解速率的影响。我们表明分解开始于 Sm 从颗粒表面蒸发，导致 α-Fe 和 Fe2Ti 相的形成。分解速率与粒度成反比。用V或Ga等相稳定元素取代Fe可以实现显着的稳定效果。根据ab initio计算，Ti、V和Ga降低了形成能。然而，当考虑到磁矩的减少时，能够最小化μ0M减少的最有效的稳定元素是Ga。
• The Er–{Fe,Co}–{Ti,V} systems and hydrogenation properties of the ErFe2−xMx (M=Ti, V, Cr, Mn, Co, Ni, Cu, Mo) alloys
  作者：B. Kotur、О. Мyakush、I. Zavaliy

  DOI：10.1016/j.jallcom.2007.01.126

  日期：2007.9

  phase diagrams of the Er–Fe,Co}–Ti,V} systems have been investigated by means of X-ray analysis. Existence of the Er M 12 − x M ′ x (M = Fe, Co; M′ = Ti, V) ternary compounds (ThMn 12 structure type, space group I 4/ mmm ) have been confirmed and their homogeneity ranges were determined. Formation of the ErM 2 -based solid solutions Er M 2 − x M ′ x (MgCu 2 structure type, space group Fd -3 m ) was

  摘要 已经通过 X 射线分析研究了 Er-Fe,Co}-Ti,V} 系统相图的等温截面。Er M 12 - x M ' x (M = Fe, Co; M' = Ti, V) 三元化合物（ThMn 12 结构类型，空间群I 4/ mmm ）的存在已被证实，并确定了它们的均质范围。观察到基于ErM 2 的固溶体Er M 2 - x M ' x （MgCu 2 结构类型，空间群Fd -3 m ）的形成。已经研究了 ErFe 2- x M x (M = Ti、V、Cr、Mn、Co、Ni、Cu、Mo) 合金的吸氢。
• High-temperature Fischer-Tropsch synthesis over FeTi mixed oxide model catalysts: Tailoring activity and stability by varying the Ti/Fe ratio
  作者：Vera P. Santos、Liam Borges、Sina Sartipi、Bart van der Linden、A. Iulian Dugulan、Adam Chojecki、Thomas Davidian、Matthijs Ruitenbeek、Garry R. Meima、Freek Kapteijn、Michiel Makkee、Jorge Gascon

  DOI：10.1016/j.apcata.2017.01.002

  日期：2017.3

  A series of Fe-Ti mixed oxide model catalysts containing different Ti/Fe ratios were synthesized and applied as catalysts for the High Temperature Fischer-Tropsch reaction (HTFTS). XRD, H2-TPR and in situ Mössbauer and XAFS spectroscopy were applied to evaluate the role of Ti on the physical and chemical properties of Fe within the mixed metal oxide. It was observed that the Ti/Fe ratio determines

  合成了一系列具有不同Ti / Fe比的Fe-Ti混合氧化物模型催化剂，并将其用作高温费-托反应（HTFTS）的催化剂。XRD，H 2 -TPR和原位Mössbauer光谱和XAFS光谱用于评估Ti对混合金属氧化物中Fe的物理和化学性质的作用。可以看出，Ti / Fe比决定了起始原料中赤铁矿，假板钛矿和锐钛矿的相对含量。这些相之间的相互作用决定了HTFTS的催化性能。 我们的结果表明假板钛矿的存在：i）增强铁的分散；ii）介导并控制活化过程中Fe（III）物种向碳化物转化过程中还原和渗碳程度，并且iii）通过最小化碳化铁的再氧化来增加HTFTS条件下的稳定性。Ti / Fe比为1 / 2.1的材料具有最高的催化活性和稳定性。
• Synthesis of FeTi from mixed oxide precursors
  作者：Serdar Tan、Taylan Örs、M. Kadri Aydınol、Tayfur Öztürk、İshak Karakaya

  DOI：10.1016/j.jallcom.2008.07.018

  日期：2009.5

  Fe 2 TiO 5 and TiO 2 in the oxide pellet reacts with the molten salt even before the electrolysis forming CaTiO 3 , transforming the rest into a mixture of ilmenite (FeTiO 3 ) and a spinel phase (Fe 2 TiO 4 ). During electrolysis these complex oxides were converted into simpler ones. Fe is the first element to be produced followed by the intermetallic Fe 2 Ti. FeTi evolves quite late in the electrolysis

  摘要 对混合氧化物前驱体采用电脱氧法合成FeTi金属间化合物进行了研究。Fe 2 O 3 和TiO 2 以1:2的摩尔比混合，在900°C至1300°C的温度范围内烧结。混合氧化物的烧结颗粒作为阴极连接，然后在 900 °C 的熔融 CaCl 2 中使用石墨阳极在 3.2 V 的电势下电解。只有当烧结温度为接近或高于 1100°C。使用间断实验跟踪脱氧过程。这表明氧化物颗粒中 Fe 2 TiO 5 和 TiO 2 的两相结构甚至在电解形成 CaTiO 3 之前就与熔盐反应，将其余部分转化为钛铁矿 (FeTiO 3 ) 和尖晶石相 (Fe 2 TiO 4 ) 的混合物。在电解过程中，这些复杂的氧化物被转化为更简单的氧化物。Fe 是第一个产生的元素，其次是金属间化合物 Fe 2 Ti。FeTi 在电解过程中演化得相当晚，这似乎是随着 CaTiO 3 的还原而发生的。结果表明，中断实验和对部分还
• Negative Thermal Expansion in (Hf,Ti)Fe₂ Induced by the Ferromagnetic and Antiferromagnetic Phase Coexistence
  作者：Yongqiang Qiao、Yuzhu Song、Kun Lin、Xinzhi Liu、Alexandra Franz、Yang Ren、Jinxia Deng、Rongjin Huang、Laifeng Li、Jun Chen、Xianran Xing

  DOI：10.1021/acs.inorgchem.8b03600

  日期：2019.5.6

  Negative thermal expansion (NTE) is an intriguing physical phenomenon that can be used in the applications of thermal expansion adjustment of materials. In this study, we report a NTE compound of (Hf,Ti)Fe2, while both end members of HfFe2 and TiFe2 show positive thermal expansion. The results reveal that phase coexistence is detected in the whole NTE zone, in which one phase is ferromagnetic (FM)

  负热膨胀（NTE）是一种引人入胜的物理现象，可用于材料热膨胀调节的应用中。在这项研究中，我们报告了（Hf，Ti）Fe 2的NTE化合物，而HfFe 2和TiFe 2的两个末端成员都显示出正的热膨胀。结果表明，在整个NTE区域中检测到相共存，其中一个相是铁磁（FM），而另一相是反铁磁（AFM）。随着温度的升高，FM相逐渐转变为AFM相。在当前的（Hf，Ti）Fe 2中发生NTE现象因为AFM相的晶胞体积小于FM相的晶胞体积，并且AFM相的质量分数随温度升高而增加。相共存的构建可以成为在未来研究中获得NTE材料的一种方法。