Research Article

Hydrogen Storage Capacity of Lead-Free Perovskite NaMTH3 (MT=Sc, Ti, V): A DFT Study

Table 5

The calculated values of density ( in kg/m3), molar mass ( in kg/mol), average sound velocity ( in m/s), Debye temperature ( in K), and melting temperature ( in K) for NaMTH3 (MT=Sc, Ti, V) hydride perovskites.

Compound

NaVH31888.5560.07096954302.441552.217683.479
NaTiH32331.8780.07388064609.879626.311731.214
NaScH32731.0890.07695514672.759660.158778.858