A first-principles study of the adsorption behavior of CO on Al- and Ga-doped single-walled BN nanotubes

Applied Surface Science

Volumn 270, Issue , 2013, Pages 25-32

  Peyghan, Ali Ahmadi ^b   Soltani, Alireza ^a   Pahlevani, Amin Allah ^a   Kanani, Yaser ^a   Khajeh, Soheila ^c  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c PAYAME NOOR UNIVERSITY   (Iran)

Author keywords

Adsorption; BNNT; Chemisorptions; CO; Metal doping

Indexed keywords

ADSORPTION; BINDING ENERGY; CHEMICAL SENSORS; CHEMISORPTION; COBALT; GALLIUM; GALLIUM COMPOUNDS; MOLECULES; NANOTUBES; QUANTUM CHEMISTRY; YARN;

ADSORPTION BEHAVIOR; ADSORPTION ENERGIES; BNNT; FIRST-PRINCIPLES STUDY; METAL-DOPING; ORBITAL HYBRIDIZATION; STABLE CONFIGURATION; STRONG INTERACTION;

ALUMINUM COMPOUNDS;

EID: 84875222083     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.12.008     Document Type: Article

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