Ab initio study of MgH2 formation

Materials Science and Engineering: B

Volumn 165, Issue 3, 2009, Pages 235-238

  Novaković, Nikola ^a   Matović, Ljiljana ^a   Novaković, Jasmina Grbović ^a   Manasijević, Miodrag ^a   Ivanović, Nenad ^a  

^a UNIVERSITY OF BELGRADE   (Serbia)

Author keywords

Ab initio; DFT calculations; Hydrogen storage; Magnesium hydride; Substoichiometric hydrides

Indexed keywords

CALCULATIONS; HYDRIDES; HYDROGEN STORAGE; LINEAR TRANSFORMATIONS; OXIDE MINERALS; TITANIUM DIOXIDE; VACANCIES; ZINC SULFIDE;

AB INITIO; AB INITIO STUDY; ABSORPTION AND DESORPTIONS; DFT CALCULATION; DFT-BASED; HYDROGEN INCORPORATION; INTERMEDIATE PHASIS; MAGNESIUM HYDRIDE; STRUCTURES AND PROPERTIES; SUBSTOICHIOMETRIC HYDRIDE;

MAGNESIUM COMPOUNDS;

EID: 71749118985     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mseb.2009.06.015     Document Type: Article

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