Ab initio investigation of the SCN - chemisorption of single-walled boron nitride nanotubes

Applied Surface Science

Volumn 258, Issue 24, 2012, Pages 9536-9543

  Soltani, Alireza ^a   Ahmadian, Nasim ^b   Kanani, Yaser ^a   Dehnokhalaji, Aliakbar ^c   Mighani, Hossein ^c  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c GOLESTAN UNIVERSITY   (Iran)

Author keywords

Adsorption; BNNT; Chemisorption; Quantum molecular descriptors

Indexed keywords

BINDING ENERGY; BORON NITRIDE; CHEMISORPTION; III-V SEMICONDUCTORS; NANOTUBES; NITRIDES; YARN;

AB INITIO INVESTIGATION; ADSORPTION CAPACITIES; ADSORPTION ENERGIES; BNNT; ORBITAL HYBRIDIZATION; QUANTUM MOLECULAR DESCRIPTORS; SINGLE-WALLED BORON NITRIDE NANOTUBES; STABLE CONFIGURATION;

ADSORPTION;

EID: 84864677152     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.05.109     Document Type: Article

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