Comprehensive density functional theory analysis of structural, elastic, electronic, optical, thermodynamic, thermoelectric and hydrogen storage properties of CaXH3 (X = Na, Al, Y)

Chemical Physics 2026

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Authors: Abu Bakar, Muhammad Yasir, Muhammad Salman Kiani, Jameel Ahmed Baig, Ayoub Rashid, Muhammad Tahir, Zaheer Hussain Shah

DOI: 10.1016/j.chemphys.2026.113162

Cited by: 1

References: 56

Fields of Study & Subjects

Hydrogen Storage and Materials Nuclear Materials and Properties Heusler alloys: electronic and magnetic properties

References 56