Structural and enhanced hydrogen storage properties of the Li12Mg3Si3Al phase
| Autor: | Grygoriy Dmytriv, Wojciech Ciesielski, Nazar Pavlyuk, Damian Kulawik, Volodymyr Pavlyuk |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Chemistry
Enthalpy Intermetallic chemistry.chemical_element 02 engineering and technology Crystal structure Type (model theory) 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 0104 chemical sciences Inorganic Chemistry Hydrogen storage Crystallography Phase (matter) Materials Chemistry Gravimetric analysis Lithium Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | Acta Crystallographica Section C Structural Chemistry. 77:227-234 |
| ISSN: | 2053-2296 |
| Popis: | The multicomponent alumosilicide Li12Mg3Si3Al (cubic, space group I-43d, cI76) belongs to the structural family based on the Cu15Si4 type. The Li atoms are ordered and occupy the site with symmetry 1 and the Mg atoms occupy the site with -4.. symmetry. The Si/Al statistical mixture occupies the site with .3. symmetry. The coordination polyhedra around the Li atoms are 13-vertex distorted pseudo-Frank–Kasper polyhedra. The environments of the Mg and Si/Al atoms are icosahedral. The hydrogen storage characteristics of Li12Mg3Si3Al were investigated. The reversible hydrogen storage capacity of the title compound is excellent and the gravimetric storage capacity of this new material, corresponding to 9.1 wt% H2, is higher compared to Li12Mg3Si4 (8.8 wt%). The enthalpy of hydrogen desorption is 86 kJ mol−1 and is lower compared to known lithium-based hydrides. |
| Databáze: | OpenAIRE |
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