Effects of metastability on hydrogen sorption in fluorine substituted hydrides
| Autor: | Eugenio Riccardo Pinatel, Marcello Baricco, Piero Ugliengo, Marta Corno |
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| Rok vydání: | 2014 |
| Předmět: |
Work (thermodynamics)
Chemistry Mechanical Engineering Inorganic chemistry Metals and Alloys chemistry.chemical_element 7. Clean energy Hydrogen storage Mechanics of Materials Ab initio quantum chemistry methods Metastability Materials Chemistry Fluorine Physical chemistry CALPHAD Solid solution Phase diagram |
| Zdroj: | Journal of Alloys and Compounds. 615:S706-S710 |
| ISSN: | 0925-8388 |
| Popis: | In this work ab initio calculations and Calphad modelling have been coupled to describe the effect of fluorine substitution on the thermodynamics of hydrogenation–dehydrogenation in simple hydrides (NaH, AlH 3 and CaH 2 ). These example systems have been used to discuss the conditions required for the formation of a stable hydride–fluoride solid solution necessary to obtain a reversible hydrogenation reaction. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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