Department of Chemical Engineering, Delft University of Technology, Julianalaan 136, 2628BL, Delft, The Netherlands.
Phys Chem Chem Phys. 2013 Jul 21;15(27):11501-10. doi: 10.1039/c3cp51735g. Epub 2013 Jun 10.
We use a combination of hydrogenography and Johnson-Mehl-Avrami-Kolmogorov (JMAK) analyses to identify (1) the driving force dependence of the nucleation and growth mechanism of MgH2 in thin film multilayers of Mg (10 nm) and (2) the nucleation and growth mechanism of Mg in the earlier formed MgH2, i.e. the hydrogen desorption process. We conclude that JMAK may be successfully applied to obtain the nucleation and growth mechanism of hydrogen absorption. The desorption mechanism, however, is not simply the reverse of the absorption mechanism. We find evidence that the barrier for nucleation of Mg is small. The dehydrogenation probably involves the formation of voids, which is energetically more favorable than elastic and plastic deformation of the multilayer.
我们使用氢造影术和约翰逊-迈尔-阿弗拉米-柯尔莫哥洛夫(Johnson-Mehl-Avrami-Kolmogorov,JMAK)分析相结合,以确定(1)在 Mg(10nm)的薄膜多层中 MgH2 的成核和生长机制的驱动力依赖性,以及(2)在早期形成的 MgH2 中即氢解吸过程中 Mg 的成核和生长机制。我们得出结论,JMAK 可以成功地应用于获得氢吸收的成核和生长机制。然而,解吸机制并不是吸收机制的简单逆转。我们发现证据表明,Mg 的成核势垒很小。脱氢过程可能涉及空隙的形成,这比多层的弹性和塑性变形更有利。