Density functional investigation of CO adsorption on Ni-doped single-walled armchair (5,5) boron nitride nanotubes

Journal of Molecular Modeling

Volumn 19, Issue 1, 2013, Pages 239-245

  Tontapha, Sarawut ^a   Ruangpornvisuti, Vithaya ^b   Wanno, Banchob ^a  

^a MAHASARAKHAM UNIVERSITY   (Thailand)

^b CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

Adsorption; Boron nitride nanotubes; CO; Density functional theory; Ni doped

Indexed keywords

BORON NITRIDE NANOTUBE; NICKEL; SINGLE WALLED NANOTUBE;

ADSORPTION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BINDING; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; NANOANALYSIS; PRIORITY JOURNAL; TRANSPORT KINETICS; ZETA POTENTIAL;

EID: 84872357214     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1537-6     Document Type: Article

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