Investigation of Elastic, Electronic and Vibrational Properties of MgVSn for Hydrogen Storage Applications
Yazarlar (2)
Selgin Al
İzmir Demokrasi Üniversitesi, Türkiye
Prof. Dr. Ahmet İYİGÖR
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Bildiri Türü | Tebliğ/Bildiri | Bildiri Dili | İngilizce |
| Bildiri Alt Türü | Tam Metin Olarak Yayınlanan Tebliğ (Uluslararası Kongre/Sempozyum) | ||
| Bildiri Niteliği | Alanında Hakemli Uluslararası Kongre/Sempozyum | ||
| Kongre Adı | XI. IMCOFE MIGRATION AND CLINATE CHANGE | ||
| Kongre Tarihi | 07-07-2020 / 09-07-2020 | ||
| Basıldığı Ülke | Rusya Federasyonu | Basıldığı Şehir | Petersburg |
| Bildiri Linki | https://www.imcofe.org/dosyalar/2020/XIIMCOFE2020.pdf | ||
| Özet |
| Magnesium based compounds are attracting tremendous interest owing to their lightweight, high hydrogen storage capacity, low price, safety and abundance. Therefore, this study focuses on revealing critical physical parameters of ternary half-Heusler MgVSn as a potential hydrogen storage material. Several crucial parameters along with structural analysis are obtained using first principle calculations as a tool which is proven to be a great tool to reveal and study extremely important parameters of materials without the need synthesising them. By adopting this tool, ternary half-Heusler MgVSn compounds is investigated for hydrogen storage in terms of structural, elastic, mechanical, electronic and vibrational properties for the first time as far as the authorsknowledge. Our elastic and mechanical stability analysis revealed that MgVSn is mechanically stable. Furthermore, electronic band structure and phonon dispersion curves of MgVSn are investigated and evaluated for dynamical stability. The detailed results of MgVSn are presented for the first time and can serve as a reference data. |
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