Theoretical study of Ni adsorption on single-walled boron nitride nanotubes with intrinsic defects

Journal of Physical Chemistry C

Volumn 112, Issue 15, 2008, Pages 5778-5783

  Zhao, Jing Xiang ^a,b   Ding, Yi Hong ^a  

^a JILIN UNIVERSITY   (China)

^b HARBIN NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ARSENIC COMPOUNDS; ATOMIC PHYSICS; ATOMS; BORON; BORON NITRIDE; CHEMICAL REACTIVITY; DEFECTS; DENSITY FUNCTIONAL THEORY; METALLIZING; METALS; NANOPORES; NANOSTRUCTURES; NANOTUBES; NICKEL; NICKEL ALLOYS; NITRIDES; NONMETALS; PROBABILITY DENSITY FUNCTION; TRANSITION METALS;

ADSORPTION ENERGIES; AMERICAN CHEMICAL SOCIETY (ACS); BAND GAPS; BORON NITRIDE NANOTUBES (BNNT); CHARGE TRANSFERS; CHEMICAL FUNCTIONALIZATION; DEFECT FREE; DENSITY OF STATES (DOF); DENSITY-FUNCTIONAL THEORY (DFT); INTRINSIC DEFECTS; NI(II) ADSORPTION; REACTIVITY (CHEMICAL); SINGLE-WALLED BORON NITRIDE NANOTUBES; TRANSITION (JEL CLASSIFICATIONS:E52 ,E41 ,E31); TRANSITION-METAL ATOMS; TUBE GROWTH;

ADSORPTION;

EID: 47249164419     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp7121196     Document Type: Article

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