Electronic structure and stability of new FCC magnesium hydrides Mg7MH16 and Mg6MH16 (M = Ti, V, Nb): An ab initio study
- Auteur
- SHELYAPIN, M. G1 ; FRUCHART, D2 ; WOLFERS, P2
[1] V.A. Fock Institute of Physics, St. Petersburg State University, Ulyanovskaya 1, Petrodvorets, St. Petersburg 198504, Russian Federation
[2] Institut Néel, CNRS/UJF, 25 avenue des Martyrs, BP 166, 38042 Grenoble, France - Source
International journal of hydrogen energy. 2010, Vol 35, Num 5, pp 2025-2032, 8 p ; ref : 31 ref
- CODEN
- IJHEDX
- ISSN
- 0360-3199
- Domaine scientifique
- General chemistry, physical chemistry; Energy
- Editeur
- Elsevier, Kidlington
- Pays de publication
- United Kingdom
- Type de document
- Article
- Langue
- Russian
- Mot clé auteur
- Ab initio calculations Hydrogen-storage materials Magnesium hydrides
- Mot clé (fr)
- Calcul APW Chaleur formation Cinétique Désorption Etude théorique Haute température Hydrure de magnésium Métal transition Stabilité Stockage hydrogène Structure électronique
- Mot clé (en)
- APW calculation Heat of formation Kinetics Desorption Theoretical study High temperature Magnesium hydride Transition metal Stability Hydrogen storage Electronic structure
- Mot clé (es)
- Método onda plana mejorada Calor formación Cinética Desorción Estudio teórico Alta temperatura Magnesio hidruro Metal transición Estabilidad Estructura electrónica
- Classification
- Pascal
- 001 Sciences exactes et technologie / 001D Sciences appliquees / 001D06 Energie / 001D06B Combustibles / 001D06B06 Combustibles de remplacement. Production et utilisation / 001D06B06B Hydrogène
- Discipline
- Energy
- Provenance
- Inist-CNRS
- Base de données
- PASCAL
- Identifiant INIST
- 22602913
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1016/j.ijhydene.2009.12.171 
https://dx.doi.org/10.1016/j.ijhydene.2009.12.171
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