Mixing Mg with Ti leads to a hydride Mg(x)Ti(1-x)H2 with markedly improved (de)hydrogenation properties for x < 0.8, as compared to MgH2. Optically, thin films of Mg(x)Ti(1-x)H2 have a black appearance, which is remarkable for a hydride material. In this paper we study the structure and stability of Mg(x)Ti(1-x)H2, x= 0-1 by first-principles calculations at the level of density functional theory. We give evidence for a fluorite to rutile phase transition at a critical composition x(c)= 0.8-0.9, which correlates with the experimentally observed sharp decrease in (de)hydrogenation rates at this composition. The densities of states of Mg(x)Ti(1-x)H2 have a peak at the Fermi level, composed of Ti d states. Disorder in the positions of the Ti atoms easily destroys the metallic plasma, however, which suppresses the optical reflection. Interband transitions result in a featureless optical absorption over a large energy range, causing the black appearance of Mg(x)Ti(1-x)H2.
The role of \b{eta} pockets resulting from Fe impurities in hydride formation in titanium
工业纯钛在NaCl溶液中的腐蚀电位受微量Fe添加的显著影响，这导致在晶界三相点处出现亚微米袋状的\b{eta}相。此外，氢在六方密排α-Ti中的低溶解度使得钛合金易于由于应力腐蚀开裂而随后发生与位错相关的失效。我们分析了2级CP-Ti中\b{eta}袋的邻接晶界的α-α和α-\b{eta}截面，以及α-\b{eta}相界。Fe和H分配到\b{eta}中并在晶界处偏聚，但在α-\b{eta}相界处未观察到偏聚。相反，在α-\b{eta}相界处观察到显著的Ni（> 1 at %）积累。我们建议，\b{eta}口袋作为氢陷阱，促进形核和生长的沿晶界的CP-Ti。
Chemical transformation of MgH2/V2O5 composite to Mg-V-O rock salt and its influence on the electrochemical Li conversion and hydrogen storage characteristics of MgH2
University of Aveiro（阿威罗大学）；LASI - Intelligent Systems Associate Laboratory（智能系统联合实验室）；International Iberian Nanotechnology Laboratory (INL)（伊比利亚纳米技术国际实验室）
Materials for hydrogen-based energy storage: Past, recent progress and future outlook
氢化镁在固体储氢材料方面占有最大的份额。为IEA Task 32 Hydrogen Based Energy Storage做出贡献的国际镁专家组最近发表了两篇综述论文，介绍了该小组的活动重点是氢化镁基材料和用于氢和能量存储的镁基化合物。这篇综述文章不仅概述了镁基复合材料的基本方面及其应用的最新活动，而且还介绍了该主题的历史概述，并概述了未来的发展。重点介绍了Mg-H体系在极压下的理论和实验研究、MgH 2体系的动力学和热力学研究、纳米结构研究、新型镁基化合物和新型复合材料研究以及镁基储氢体系中的催化作用研究。最后，热能存储和放大氢存储系统容纳MgH 2。
最近更新的最高转变温度在传统的超导体的硫氢化物吸引了人们的注意力，探索简单的化合物与较轻的元素，位于非常规条件。我们报告的发现超导性的简单氧化物的Ti4 O 7和g-Ti 3 O 5的薄膜形式具有故意调整的外延结构和非化学计量。这些更高的钛氧化物加入了一类简单的氧化物超导体，g-Ti 3 O 5现在拥有其中最高的超导转变温度7.1开尔文。超导电性背后的机制进行了讨论的基础上的电气测量和理论预测。我们的结论是超导性产生于不稳定的双极化绝缘态。
