Dr. Shiqiang Hao, Postdoctoral Scholar from the Georgia Institute of Technology will be hosting a two-part seminar on October 28th.
Part I: Amorphous metals are interesting candidates for use as H2 purification membranes. Methods are introduced that combine first principles calculations and statistical mechanics to study the properties of interstitial H in amorphous metals. The methods are verified by comparing our calculation results with the available experimental data. More importantly, they are applied to make predictions about performance of amorphous metal membranes for hydrogen purification.
Part II: The diffusion of hydrogen in metal hydrides is crucial to the kinetics of hydrogen storage in these materials. The first-principles calculations have shown that H transport in NaH, MgH2 and NaMgH3 is dominated by charged defects. This creates the possiblity of enhancing diffusion in these materials by adding dopants that alter the population of the relevant charged defects.