Lyu Jinzhe, Elman Roman R, Svyatkin Leonid A, Kudiiarov Viktor N
Division for Experimental Physics, School of Nuclear Science & Engineering, National Research Tomsk Polytechnic University, Lenin Ave. 43, 634050 Tomsk, Russia.
Materials (Basel). 2022 Feb 23;15(5):1667. doi: 10.3390/ma15051667.
The study of hydrogen storage properties of Mg-based thin films is of interest due to their unique composition, interface, crystallinity, and high potential for use in hydrogen-storage systems. Alloying Mg with Al leads to the destabilization of the magnesium hydride reducing the heat of reaction, increases the nucleation rate, and decreases the dehydriding temperature. The purpose of our study is to reveal the role of the aluminum atom addition in hydrogen adsorption and accumulation in the Mg-H solid solution. calculations of aluminum and hydrogen binding energies in magnesium were carried out in the framework of density functional theory. Hydrogen distribution and accumulation in Mg and Mg-10%Al thin films were experimentally studied by the method of glow-discharge optical emission spectroscopy and using a hydrogen analyzer, respectively. It was found that a hydrogen distribution gradient is observed in the Mg-10%Al coating, with more hydrogen on the surface and less in the bulk. Moreover, the hydrogen concentration in the Mg-10%Al is lower compared to Mg. This can be explained by the lower hydrogen binding energy in the magnesium-aluminum system compared with pure magnesium.
由于镁基薄膜独特的组成、界面、结晶度以及在储氢系统中的高应用潜力，对其储氢性能的研究备受关注。镁与铝合金化会导致氢化镁不稳定，降低反应热，提高成核速率，并降低脱氢温度。我们研究的目的是揭示添加铝原子在镁 - 氢固溶体中氢吸附和积累过程中的作用。在密度泛函理论框架下对镁中铝和氢的结合能进行了计算。分别通过辉光放电光发射光谱法和使用氢分析仪对镁和镁 - 10%铝薄膜中的氢分布和积累进行了实验研究。发现在镁 - 10%铝涂层中观察到氢分布梯度，表面氢含量更多，而本体中氢含量较少。此外，与镁相比，镁 - 10%铝中的氢浓度更低。这可以通过镁 - 铝系统中氢的结合能低于纯镁来解释。
