DFT and AIMD predictions of Li 2 XBH 6 (X = Li, Na, K) double perovskites for efficient hydrogen storage and photocatalytic applications

Materials Advances 2026 Open access

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Authors: Partha Podder, Joy Kumar Sharkar, Md. Al-Amin, R.M. Tanvir, Siyam Sheikh, M. T. Nasir, A. Rayhan, S. Mahmud
DOI: 10.1039/d6ma00292g
Cited by: 3
References: 99

Abstract

Multifunctional materials of Li 2 XBH 6 (X = Li, Na, K) double perovskite halides for hydrogen storage and photocatalytic application with thermodynamic stability.

Fields of Study & Subjects

Advanced Battery Materials and Technologies Thermal Expansion and Ionic Conductivity Inorganic Chemistry and Materials

Publication details

Journal / source
Materials Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
7
Issue
10
Pages
5300–5316
Publication date
1 January 2026
Language
EN