Thermodynamic and electronic properties of quaternary hydrides LixNa1-xMgH3

Journal of Alloys and Compounds

Volumn 474, Issue 1-2, 2009, Pages 522-526

  Xiao, Xiao Bing ^a   Tang, Bi Yu ^a,b   Liao, Sun Qi ^b   Peng, Li Ming ^c   Ding, Wen jiang ^c  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

^b GUANGXI UNIVERSITY   (China)

^c Shanghai Jiao Tong University   (China)

Author keywords

Electronic density of states; First principles; Hydrogen storage materials; Thermodynamic properties

Indexed keywords

DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ENERGY GAP; ENTHALPY; HYDROGEN; MATERIALS PROPERTIES; SODIUM; SOLID STATE PHYSICS; THERMODYNAMICS;

BAND GAPS; COHESIVE ENERGIES; DEHYDROGENATION REACTIONS; DENSITY FUNCTIONAL; ENTHALPY CHANGES; FIRST-PRINCIPLES; GENERALIZED-GRADIENT APPROXIMATIONS; HYDROGEN STORAGE MATERIALS; LI SUBSTITUTIONS; QUATERNARY HYDRIDES; REACTION ENTHALPIES; WIDE-BAND-GAPS;

HYDROGEN STORAGE;

EID: 61649114011     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2008.06.127     Document Type: Article

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