Ab initio investigation of Al- and Ga-doped single-walled boron nitride nanotubes as ammonia sensor

Applied Surface Science

Volumn 263, Issue , 2012, Pages 619-625

  Soltani, Alireza ^a   Raz, Shima Ghafouri ^a   Rezaei, Vahid Joveini ^a   Dehno Khalaji, Aliakbar ^b   Savar, Mohammad ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b GOLESTAN UNIVERSITY   (Iran)

Author keywords

BNNT; Chemisorption; DFT; Doping metal

Indexed keywords

ALUMINUM COMPOUNDS; AMMONIA; CALCULATIONS; CHEMISORPTION; ELECTRONIC PROPERTIES; III-V SEMICONDUCTORS; NANOTUBES; YARN;

AB INITIO INVESTIGATION; ADSORPTION PROPERTIES; BNNT; COVALENT INTERACTIONS; FIRST-PRINCIPLES CALCULATION; ORBITAL HYBRIDIZATION; SINGLE-WALLED BORON NITRIDE NANOTUBES; STRUCTURAL AND ELECTRONIC PROPERTIES;

GAS ADSORPTION;

EID: 84869496420     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.09.122     Document Type: Article

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