Structural, electronic, elastic and thermodynamic properties of hydrogen storage magnesium-based ternary hydrides
Yazarlar (2)
Doç. Dr. Selgin Al İzmir Demokrasi Üniversitesi, Türkiye
Prof. Dr. Ahmet İYİGÖR Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Chemical Physics Letters | ||
| Dergi ISSN | 0009-2614 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2020 |
| Cilt / Sayı / Sayfa | 743 / 1 / 137184–0 | DOI | 10.1016/j.cplett.2020.137184 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0009261420300993 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| In this study, new, lightweight perovskite type hydrides; MgNiH3 (GHD is calculated as ~3.51 wt%) and MgCuH3 (GHD is calculated as ~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 |
| Electronic properties | First principle calculations | Hydrogen storage | Mechanical stability |
Science Direct
Structural, electronic, elastic and thermodynamic properties of hydrogen storage magnesium-based ternary hydrides
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 54 |
| Scopus | 53 |
| Google Scholar | 61 |