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