Detection of phosgene by Sc-doped BN nanotubes: A DFT study

Sensors and Actuators, B: Chemical

Volumn 171-172, Issue , 2012, Pages 846-852

  Beheshtian, Javad ^a   Peyghan, Ali Ahmadi ^b   Bagheri, Zargham ^b  

^a SHAHID RAJAEE TEACHER TRAINING UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

B3LYP; Boron nitride nanotubes; COCl 2; DFT; Doping

Indexed keywords

B3LYP; BN NANOTUBE; BORON NITRIDE NANOTUBES; COCL 2; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY OF STATE; DFT; DFT STUDY; ENTHALPY CHANGE;

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; MOLECULES; TUBES (COMPONENTS); WORK FUNCTION;

NANOTUBES;

EID: 84864283645     PISSN: 09254005     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.snb.2012.05.082     Document Type: Article

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