2 papers
cond-mat.mtrl-sci2019
Ti4+ Substituted Magnesium Hydride as Promising Material for Hydrogen Storage and Photovoltaic Applications
R Varunaa, S Kiruthika, P Ravindran
In order to overcome the disadvantages of MgH2 towards its applications in on-board hydrogen storage, first principle calculations have been performed for Ti (2+, 3+, and 4+) subst…
cond-mat.mtrl-sci2016
Structural Phase Stability in Fluorinated Calcium Hydride
R. Varunaa, P. Ravindran
In order to improve the hydrogen storage properties of calcium hydride (CaH2), we have tuned its thermodynamical properties through fluorination. Using ab-initio total energy calcu…