A DFT study of structural, electronic, mechanical, phonon, thermodynamic, and H2 storage properties of lead-free perovskite hydride MgXH3(X=Cr, Fe, Mn)
Titel:
A DFT study of structural, electronic, mechanical, phonon, thermodynamic, and H2 storage properties of lead-free perovskite hydride MgXH3(X=Cr, Fe, Mn)
Auteur:
Rehman, Zia ur Rehman, Muhammad Awais Rehman, Bushra Amjad, Mahnoor Awais, Muhammad Iqbal, Iqra Rafique, Anam