论文标题
Ti和Mn的Fe部分替代Fe的基本氢存储特性
Fundamental hydrogen storage properties of TiFe-alloy with partial substitution of Fe by Ti and Mn
论文作者
论文摘要
由于其低成本,良好的容量氢密度以及通过元素取代对氢化热力学的均匀定制,因此对金属间化合物进行了广泛的研究。所有这些积极的方面使这种材料有望用于大规模应用固态氢存储。另一方面,应修改激活和动力学问题,并应进一步理解元素替代的作用。这项工作研究了沿着拉拉阶段的均匀性范围(Ti:Fe比率为1:1至1:1:0.9)的Ti含量变化引起的热力学变化,而MN代替了MN在0和5之间的Fe替代。在所有被考虑的合金中,主要阶段是tife型型,分别在Ti-poor和Ti fier tife阶段域的Ti4fe2O-type和Ti4fe2O-type和Ti4fe2O-type一起分别与ti型相域的丰富侧。热力学数据与可用文献一致,但在这里提供了扩展的Ti和Mn组成范围内的氢化特性的全面图片。此外,只要形成有限的\ b {eta} -ti,Ti-Ti-Ti-Ti-Ti-fillys表现出增强的存储能力。 Mn和Ti取代都通过可能取代Fe,降低高原压力并降低等温线的滞后。将讨论氢存储特性作为组成函数的依赖性的完整图,以及一些观察到的相关性。
TiFe intermetallic compound has been extensively studied, owing to its low cost, good volumetric hydrogen density, and easy tailoring of hydrogenation thermodynamics by elemental substitution. All these positive aspects make this material promising for large-scale applications of solid-state hydrogen storage. On the other hand, activation and kinetic issues should be amended and the role of elemental substitution should be further understood. This work investigates the thermodynamic changes induced by the variation of Ti content along the homogeneity range of the TiFe phase (Ti:Fe ratio from 1:1 to 1:0.9) and of the substitution of Mn for Fe between 0 and 5 at.%. In all considered alloys, the major phase is TiFe-type together with minor amounts of TiFe2 or \b{eta}-Ti-type and Ti4Fe2O-type at the Ti-poor and rich side of the TiFe phase domain, respectively. Thermodynamic data agree with the available literature but offer here a comprehensive picture of hydrogenation properties over an extended Ti and Mn compositional range. Moreover, it is demonstrated that Ti-rich alloys display enhanced storage capacities, as long as a limited amount of \b{eta}-Ti is formed. Both Mn and Ti substitutions increase the cell parameter by possibly substituting Fe, lowering the plateau pressures and decreasing the hysteresis of the isotherms. A full picture of the dependence of hydrogen storage properties as a function of the composition will be discussed, together with some observed correlations.