DFT model of hydrogen desorption from MgH2: The role of iron catalyst

International Journal of Hydrogen Energy

Volumn 38, Issue 35, 2013, Pages 15254-15263

  Giusepponi, Simone ^a   Celino, Massimo ^a  

^a ENEA   (Italy)

Author keywords

Ab initio calculations; Hydrogen desorption; Hydrogen storage; Interfaces

Indexed keywords

AB INITIO CALCULATIONS; AB-INITIO MOLECULAR DYNAMICS; ATOMIC LEVELS; DESORPTION TEMPERATURES; FORMATION ENERGIES; HYDROGEN DESORPTION; STRUCTURAL DATA; STRUCTURAL MECHANISMS;

CATALYSTS; HYDROGEN; HYDROGEN STORAGE; INTERFACES (MATERIALS); MOLECULAR DYNAMICS;

DESORPTION;

EID: 84887063063     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2013.09.132     Document Type: Article

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