| Yazarlar |
Selgin Al
İzmir Demokrasi Üniversitesi, Türkiye |
Doç. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| In this study, new, lightweight perovskite type hydrides; MgNiH3 (GHD is calculated as similar to 3.51 wt%) and MgCuH3 (GHD is calculated as similar to 3.32 wt%) are investigated. Hydrogen storage, structural, elastic, mechanical, electronic and thermodynamic behaviour of these hydrides are investigated using first principle calculations as a tool. Our elastic and mechanical analysis revealed that these hydrides are mechanically stable and have a ductile nature which is a necessary assessment required for handling materials for transportation. Furthermore, electronic band structures of hydrides indicate metallic characteristics for both hydrides. Many unknown thermodynamic properties of these ternary hydrides are revealed and discussed. |
| Anahtar Kelimeler |
| Hydrogen storage, First principle calculations, Electronic properties, Mechanical stability |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Chemical Physics Letters |
| Dergi ISSN | 0009-2614 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 03-2020 |
| Cilt No | 743 |
| Sayfalar | 137184 / |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0009261420300993 |
