The structural, elastic, optoelectronic properties and hydrogen storage capability of lead-free hydrides XZrH3 (X: Mg/Ca/Sr/Ba) for hydrogen storage application: a DFT study - Masood, Muhammad Kashif; Khan, Wahidullah; Bibi, Shumaila; Khan, Niqab; Pingak, Redi Kristian; Tahir, Kamran; Rehman, Javed; Bahajjaj, Aboud Ahmed Awadh (Computational and Theoretical Chemistry, 2024)