The dominant roles of “electron-density-mechanism” and “chemical-bonding-mechanism” for hydrogen in molybdenum and lithium
Using first-principles calculations, we have systematically studied structures and thermodynamic stability of interstitial H as well as the H-vacancy interaction in molybdenum (Mo) and lithium (Li). Single H atom prefers to occupy tetrahedral interstitial position (TIP) and octahedral interstitial p...
שמור ב:
| Principais autores: | , , , , , |
|---|---|
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
Elsevier
2024-12-01
|
| סדרה: | Nuclear Materials and Energy |
| נושאים: | |
| גישה מקוונת: | http://www.sciencedirect.com/science/article/pii/S2352179124001625 |
| תגים: |
אין תגיות, היה/י הראשונ/ה לתייג את הרשומה!
|