Work

First-principles investigation of hydrogen storage capacity, electronic, optical, mechanical, and thermodynamic properties of alkaline-metal-based K 2 LiXH 6 (X = Mg, Ca) hydrides

Year: 2026

Type: article

Abstract: Graphical summary of K 2 LiXH 6 (X = Mg, Ca) double perovskite hydrides, illustrating crystal structures, thermal stability, phonon dispersion, electronic properties, optical response, and AIMD simulations for potential energy-related applications.

Source: RSC Advances

DOI: 10.1039/d6ra08143f

Authors: Kirran Siddique, Ghulam M. Mustafa, Murefah mana AL-Anazy, Noura Dawas Alkhaldi, Abdelkareem Almeshal, Ali El-Rayyes, Mohd Taukeer Khan, Q. Mahmood

Institutions: University of Education, Princess Nourah bint Abdulrahman University, University of Hafr Al-Batin, Qassim University, Northern Border University, Islamic University of Madinah, Imam Abdulrahman Bin Faisal University

Language: English

Topic: Hydrogen Storage and Materials

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

SDG: Affordable and clean energy

Open Access status: gold

Estimated APC paid: $1,042

Funders: Princess Nourah Bint Abdulrahman University, Northern Border University

Award: G8537488557

OpenAlex ID: W7223408462

FWCI:

Cites: 96

Cited by:

Related to: 10