Phase transitions, elastic and electronic properties of hydrogen storage Na2PdH4
Yazarlar (2)
S. Al
Izmir Democracy University, Türkiye
Izmir Democracy University, 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 | Fizika Nizkikh Temperatur (Q4) | ||
| Dergi ISSN | 0132-6414 Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2021 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-12-2021 |
| Cilt / Sayı / Sayfa | 47 / 12 / 1135–1138 | DOI | 10.1063/10.0007078 |
| Makale Linki | http://dx.doi.org/10.1063/10.0007078 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| 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 | |
| Web of Science | 2 |
| Google Scholar | 2 |