A series of Ti-Zr-Hf-Mo-Nb high-entropy alloys with different Mo concentrations were developed as candidate materials for hydrogen/tritium storage in solid phase. The crystal structures and hydrogenation properties of the Ti-Zr-Hf-Mo-Nb alloys were investigated by X-ray diffraction and differential scanning calorimetry techniques. All the alloys have a body-centred cubic single phase structure. The results demonstrate that the cell volume of the Ti-Zr-Hf-Mo-Nb hydride decreases with increasing Mo concentration, which reduces their thermal stability. The theoretical calculation proposes that the lower binding energy of the Ti-Zr-Hf-Mo-Nb hydride decreases the thermal stability of Ti-Zr-Hf-Mo-Nb alloys with higher Mo content. The great hydrogenation performance for all the Ti-Zr-Hf-Mo-Nb alloys is owing to their reversible single-phase transformation during the hydrogen absorption-desorption cycle, which would be beneficial to improving the hydrogen recycling rate and preventing the disproportionation. The compositional dependence of the hydrogenation performance of the Ti-Zr-Hf-Mo-Nb alloys was established and will be useful in designing novel hydrogen/tritium storage materials to satisfy the requirements of different application fields in hydrogen, solar thermal and nuclear energy.

开发了一系列具有不同Mo浓度的Ti-Zr-Hf-Mo-Nb高熵合金作为氢/ hydrogen固相存储的候选材料。利用X射线衍射和差示扫描量热技术研究了Ti-Zr-Hf-Mo-Nb合金的晶体结构和氢化性能。所有合金均具有以人体为中心的立方单相结构。结果表明，随着Mo浓度的增加，Ti-Zr-Hf-Mo-Nb氢化物的晶胞体积减小，从而降低了其热稳定性。理论计算表明，Ti-Zr-Hf-Mo-Nb氢化物的较低结合能降低了Mo含量较高的Ti-Zr-Hf-Mo-Nb合金的热稳定性。所有Ti-Zr-Hf-Mo-Nb合金均具有出色的加氢性能，这归因于它们在氢吸收-解吸循环中可逆的单相转变，这将有利于提高氢的循环利用率并防止歧化。建立了Ti-Zr-Hf-Mo-Nb合金氢化性能的成分依赖性，可用于设计新颖的氢/ t存储材料，以满足氢，太阳热能和核能不同应用领域的要求。