Phase transitions, elastic and electronic properties of hydrogen storage Na2PdH4
Yazarlar (2)
Selgin Al İzmir Demokrasi Üniversitesi, Türkiye
Prof. Dr. Cihan KÜRKÇÜ Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Low Temperature Physics (Q4) | ||
| Dergi ISSN | 1063-777X Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2021 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 47 / 12 / 1037–1040 | DOI | 10.1063/10.0007078 |
| Makale Linki | http://dx.doi.org/10.1063/10.0007078 | ||
| Özet |
| Hydrogen can be absorbed by some materials at specific pressures and temperatures. This is extremely important in terms of creating carbon-free and sustainable society. In this work hydrides are good candidates to fulfill these aims. Electronic and magnetic properties of hydrides are investigated. This study considers Na 2 PdH 4 as solid storage of hydrogen material. Hydrogen is highly soluble in palladium and can be stored in large amounts at ambient conditions. The structural evolution, electronic and elastic properties of Na 2 PdH 4 has been investigated by means of density functional theory. The SIESTA software package is used with the generalized gradient approximation for the exchange-correlation functional and norm-conserving Troullier–Martins pseudopotentials. High-pressure computations have been carried out to reveal phase transitions. Na 2 PdH 4 is transformed from I4/mmm tetragonal structure … |
| Anahtar Kelimeler |
| Density functional theory | Elastic properties | Hydrogen storage | Phase transitions |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 2 |
| Web of Science | 2 |