Revealing the effects of NbH x ( x = 1, 2)/MgH 2 interfaces on the dehydrogenation of MgH 2 from first-principles

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Authors: Yi Liu, Jianchuan Wang, Changbin Wei, Linkun Zhang, Bo Han, Yong Du
Cited by: 1
References: 57

Abstract

First-principles calculations are used to study the effects of NbH x phase on hydrogen release from MgH 2 based on the interface model.

Fields of Study & Subjects

Hydrogen Storage and Materials Hydrogen embrittlement and corrosion behaviors in metals Thermal Expansion and Ionic Conductivity

Publication details

Journal / source
Journal of Materials Chemistry A
Publisher
Royal Society of Chemistry (RSC)
Volume
14
Issue
15
Pages
8999–9009
Publication date
1 January 2026
Language
EN