Electronic Structure and Hydrogen Desorption in NaAlH<sub>4</sub>

Shaohan Li; Puru Jena; C. Moysés Araújo; Rajeev Ahuja

doi:10.1557/proc-837-n2.5

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Electronic Structure and Hydrogen Desorption in NaAlH₄

Shaohan Li Puru Jena C. Moysés Araújo Rajeev Ahuja

Year: 2004 Journal: MRS Proceedings Vol: 837 Publisher: Cambridge University Press

DOI: 10.1557/proc-837-n2.5

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Keywords:

Materials science Hydrogen storage Hydrogen Density functional theory Vacancy defect Metal Doping Atom (system on chip) Electronic structure Desorption Exothermic reaction Chemical physics Inorganic chemistry Physical chemistry Chemical engineering Crystallography Computational chemistry Thermodynamics Adsorption Metallurgy Alloy Organic chemistry Optoelectronics Chemistry

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Hydrogen Storage and Materials

Physical Sciences → Materials Science → Materials Chemistry

Ammonia Synthesis and Nitrogen Reduction

Physical Sciences → Chemical Engineering → Catalysis

Superconductivity in MgB2 and Alloys

Physical Sciences → Physics and Astronomy → Condensed Matter Physics

Electronic Structure and Hydrogen Desorption in NaAlH₄

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