Chemical-bonding and high-pressure studies on hydrogen-storage materials

Computational Materials Science

Volumn 30, Issue 3-4 SPEC. ISS., 2004, Pages 349-357

  Ravindran, P ^a   Vajeeston, P ^a   Fjellvag H ^a   Kjekshus, A ^a  

^a UNIVERSITY OF OSLO   (Norway)

Author keywords

Chemical bonding; Density functional calculations; Electronic structure; Hydrogen storage materials; Pressure induced structural transition

Indexed keywords

CHEMICAL BONDS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; HYDRIDES; INTERMETALLICS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; RARE EARTH ALLOYS; SOLIDS;

CRYSTAL-ORBITAL HAMILTON POPULATION (COHP); HYDROGEN-STORAGE MATERIALS; METASTABLE PHASES; PRESSURE-INDUCED STRUCTURAL TRANSITION;

HYDROGEN;

EID: 3142744008     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.02.025     Document Type: Conference Paper

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