Nanoconfinement effects on the reversibility of hydrogen storage in ammonia borane: A first-principles study

Journal of Chemical Physics

Volumn 134, Issue 21, 2011, Pages

  Chang, Kiseok ^a   Kim, Eunja ^b   Weck, Philippe F ^b   Tománek, David ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b UNIVERSITY OF NEVADA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA BORANE; ATOMISTIC MECHANISM; BORAZINE; CYCLIC COMPOUNDS; FIRST-PRINCIPLES STUDY; HYDROGEN RELEASE; LOW TEMPERATURES; NANOCONFINEMENT EFFECTS; NANOCONFINEMENTS; POLYAMINOBORANE; REHYDROGENATION;

AMMONIA; CARBON NANOTUBES; DENSITY FUNCTIONAL THEORY; HYDROGEN; PHOTOEXCITATION; QUANTUM CHEMISTRY; SURFACE REACTIONS;

HYDROGEN STORAGE;

EID: 79958847978     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3594115     Document Type: Article

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