Native defect concentrations in NaAlH4 and Na 3AlH6

Journal of Physical Chemistry C

Volumn 115, Issue 43, 2011, Pages 21443-21453

  Michel, Kyle Jay ^a   Ozoliņš, Vidvuds ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BULK DEFECTS; DEFECT CONCENTRATIONS; DEFECT TYPE; DEHYDROGENATION PRODUCTS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FUEL CELL VEHICLES; GASPHASE; HIGH TEMPERATURE; HYDROGEN RELEASE; HYDROGEN VACANCIES; INTERSTITIAL HYDROGEN; KINETIC RATES; LOW TEMPERATURES; METAL DIFFUSION; METAL SPECIES; NATIVE DEFECT; POSITIVELY CHARGED; QUANTITATIVE ESTIMATES; SODIUM ALANATES; TEMPERATURE RANGE; USEFUL PROPERTIES;

ACTIVATION ENERGY; CALCULATIONS; DENSITY FUNCTIONAL THEORY; FREE ENERGY; FUEL CELLS; HYDROGEN; TITANIUM;

SODIUM COMPOUNDS;

EID: 80055034173     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp203672u     Document Type: Article

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