Stability and hydrogen storage potential of zirconium-based A 2 ZrH 6 (A = Na, K) hydrides: a DFT and AIMD investigation

RSC Advances 2026 Open access

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Authors: Muhammad Kaleem, Amna Ali Nasir, Zahid Sarfraz, Sanober Kanwal, Asif Nawaz Khan, A. F. Abd El-Rehim, Heba Y. Zahran
DOI: 10.1039/d6ra00660d
Cited by: 5
References: 53

Abstract

(A = Na, K) perovskite hydrides as viable and efficient materials for next-generation hydrogen storage and energy conversion systems.

Fields of Study & Subjects

Hydrogen Storage and Materials Thermal Expansion and Ionic Conductivity Electrocatalysts for Energy Conversion

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
14
Pages
12786–12797
Publication date
1 January 2026
Language
EN