First-principles investigation of ammonia borane for hydrogen storage

Physica Scripta

Volumn 86, Issue 1, 2012, Pages

  Zhong, B ^a   Song, L ^a   Huang, X X ^a   Xia, L ^a   Wen, G ^a  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA BORANE; B ATOMS; BONDING CHARACTER; DIPOLE DIPOLE INTERACTIONS; ELECTRON DEFICIENCY; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES INVESTIGATIONS; FORMATION ENTHALPY; HYDROGEN RELEASE; HYDROGEN STORAGE MATERIALS; INITIAL STAGES;

AMMONIA; ATOMS; CHARGE TRANSFER; ELECTRONIC STRUCTURE; HYDROGEN BONDS; HYDROGEN STORAGE;

CALCULATIONS;

EID: 84863737068     PISSN: 00318949     EISSN: 14024896     Source Type: Journal    
DOI: 10.1088/0031-8949/86/01/015606     Document Type: Article

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