Theoretical investigation of the divacancies in boron nitride nanotubes: Properties and surface reactivity toward various adsorbates

Journal of Chemical Physics

Volumn 131, Issue 1, 2009, Pages

  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

BORON NITRIDE NANOTUBES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIVACANCIES; DIVACANCY; FORMATION ENERGIES; LOCAL STRAINS; STABLE STRUCTURES; SURFACE REACTIVITY; THEORETICAL INVESTIGATIONS; TUBE DIAMETERS;

ADSORBATES; BORON; DENSITY FUNCTIONAL THEORY; ELECTRON IRRADIATION; NANOTUBES; NITRIDES; POINT DEFECTS;

BORON NITRIDE;

EID: 67650462635     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3167409     Document Type: Article

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