Effect of transition metal on the physical and hydrogen storage properties of the dynamically stable novel ARhH3 (A = Mg, Ca, and Sr) hydrides for solid-state hydrogen storage application: A DFT and AIMD study
A thorough examination of the physical and hydrogen storage properties of novel ARhH3 (A = Mg, Ca, and Sr) hydrides employs first-principles Density Functional Theory. The mechanical, dynamic, thermodynamic, and phase stability of ARhH3 hydrides were validated by assessing the Born stability criteri...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-11-01
|
| Series: | Fuel Processing Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0378382025001365 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|