DFT Investigation of the Thermoelectric, Electronic, and Hydrogen Storage Properties of MgMH₃ (M = Mn and Ni) Perovskites Using BoltzTrap

This study provides a theoretical assessment of the structural, electronic, and thermal properties of Mg<i>M</i>H₃ (<i>M</i> = <i>Mn</i> and <i>Ni</i>) compounds using the full-potential linearized augmented plane wave (FP-LAPW) method, with a range of modern functionals. The thermoelectr...

Description complète

Détails bibliographiques

Auteurs principaux:	Ayoub Koufi, Younes Ziat, Hamza Belkhanchi, Charaf Laghlimi, Noureddine Lakouari, Zakaryaa Zarhri
Format:	Artigo
Langue:	Inglês
Publié:	MDPI AG 2026-04-01
Collection:	Physchem
Sujets:	MgNiH<sub>3</sub> and MgMnH<sub>3</sub> thermoelectric electrical and thermal conductivity Seebeck coefficient
Accès en ligne:	https://www.mdpi.com/2673-7167/6/2/21
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!