A theoretical insight into hydrogen storage and thermoelectric properties of double perovskite hydrides Rb2CuYH6 and Cs2CuYH6
Identifying promising double perovskite (DPs) hydride materials for efficient hydrogen storage is an important issue for hydrogen-based energy scenarios. Herein, we examine the structural, hydrogen storage, electronic, mechanical, optical, and thermoelectric properties of novel DPs hydrides Rb2CuYH6 and Cs2CuYH6 by usi...