First-principles study of interaction between H2 molecules and BN nanotubes with BN divacancies

Journal of Chemical Physics

Volumn 127, Issue 16, 2007, Pages

  Hu, Shuanglin ^a   Kan, Er Jun ^a   Yang, Jinlong ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BORON NITRIDE; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; HYDROGEN; NANOTUBES; PHYSISORPTION; VACANCIES;

DIVACANCIES; ELECTROSTATIC POTENTIAL; SINGLE-WALLED NANOTUBES;

MOLECULAR INTERACTIONS;

EID: 36048956036     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2786988     Document Type: Article

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