N. A. Noor

First-principles investigation of A2SnH6 (A = Li, Na, K) double perovskite hydrides for energy conversion applications

This study explores the solid-state hydrogen storage capacity of A 2 SnH 6 (A = Li, Na, K) double perovskite hydrides. The substitution of Li with Na and K leads to an increase in lattice parameters from 7.56 to 7.73 and 7.99 Å. The enthalpy of formation and AIMD computation confirm their thermodynamic and ther...