Conference
Open access
2026
DFT analysis of physical properties and solid-state hydrogen storage potential of Sodium-Based Double Perovskites Na 2 XH 6 (X = V, Cr and Co)
This study investigates novel hydrogen storage materials Na 2 XH 6 (X = V, Cr and Co) using first-principles density functional theory (DFT) within the GGA-PBE approximation, as implemented in the CASTEP code. The structural, electronic, mechanical, optical and thermal properties are systematically analyzed. Grav...
R. Oualaid, Youssef El Bid, N. El Biaze et al.
· E3S Web of Conferences · 0 citations