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Dynamical stabilization and H-vacancy diffusion kinetics of lightweight complex hydrides: Ab initio study for hydrogen storage improvement
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| dc.contributor.author | Prayoonsak Pluengphon | |
| dc.contributor.author | Prutthipong Tsuppayakorn-aek | |
| dc.contributor.author | Wiwittawin Sukmas | |
| dc.contributor.author | Burapat Inceesungvorn | |
| dc.contributor.author | Thiti Bovornratanaraks | |
| dc.contributor.author | ประยูรศักดิ์ เปลื้องผล | |
| dc.contributor.author | พฤทธิพงษ์ ทรัพยากรเอก | |
| dc.contributor.author | วิวิธวินท์ สุขมาศ | |
| dc.contributor.author | บูรภัทร์ อินทรีย์สังวร | |
| dc.contributor.author | ธิติ บวรรัตนารักษ์ | |
| dc.contributor.other | Huachiew Chalermprakiet University. Faculty of Science and Technology | th |
| dc.contributor.other | Chulalongkorn University. Faculty of Science | th |
| dc.contributor.other | Chulalongkorn University. Faculty of Science | th |
| dc.contributor.other | Chulalongkorn University. Faculty of Science | th |
| dc.contributor.other | Chulalongkorn University. Faculty of Science | th |
| dc.date.accessioned | 2024-05-02T14:02:43Z | |
| dc.date.available | 2024-05-02T14:02:43Z | |
| dc.date.issued | 2021 | |
| dc.identifier.citation | International Journal of Hydrogen Energy 46, 43, (23 June 2021) : 22591-22598 | th |
| dc.identifier.other | https://doi.org/10.1016/j.ijhydene.2021.04.070 | |
| dc.identifier.uri | https://has.hcu.ac.th/jspui/handle/123456789/2106 | |
| dc.description | สามารถเข้าถึงบทความฉบับเต็มได้ที่ https://doi.org/10.1016/j.ijhydene.2021.04.070 | th |
| dc.description.abstract | We present structural stability of new lightweight complex hydrides: Li2BeMgH6, LiNaMg2H6, and LiNaBeMgH6, which correlated to the LiMgH3 (R3c) phase. Lattice dynamic stability, mechanical stability, electronic structure, and hydrogen vacancy mechanism are investigated using ab initio calculation. Remarkably, calculation results show the enhancement of the internal mechanism for hydrogen storage in the lightweight complex hydrides. The stable phase (R3) of the new complex hydrides exhibits high gravimetric density and low heat capacity. The Li2BeMgH6 in the R3 phase systematically indicates the remarkable improvement of the hydrogen storage mechanism compared with the LiMgH3-based system. | th |
| dc.language.iso | en_US | th |
| dc.subject | Lattice dynamics | th |
| dc.subject | Magnesium hydride | th |
| dc.subject | แมกนีเซียมไฮไดรด์ | th |
| dc.subject | Hydrogen | th |
| dc.subject | ไฮโดรเจน | th |
| dc.title | Dynamical stabilization and H-vacancy diffusion kinetics of lightweight complex hydrides: Ab initio study for hydrogen storage improvement | th |
| dc.type | Article |
