Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides

An approach to various metal hydrides based on electronic principles is presented. The effective medium theory (EMT) is used to illustrate fundamental aspects of metal-hydrogen interaction and clarify the most important processes taking place during the interaction. The elaboration is extended using...

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Principais autores: Ljiljana Matović, Ivana Radisavljević, Nikola Novaković, Nenad Ivanović, Jasmina Grbović Novaković
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2012-08-01
coleção:Crystals
Assuntos:
hydrogen storage
metal hydrides
MgH2
complex hydrides
Li-amide/imide
electronic structure
ab initio calculation
DFT
sorption kinetics
catalysts
Acesso em linha:http://www.mdpi.com/2073-4352/2/3/1261
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