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Computational Materials Science

Volumn 62, Issue , 2012, Pages 71-74

Selective function of Al 12N 12 nano-cage towards NO and CO molecules

(3) Beheshtian, Javad a Peyghan, Ali Ahmadi b Bagheri, Zargham b

a SHAHID RAJAEE TEACHER TRAINING UNIVERSITY (Iran)

b ISLAMIC AZAD UNIVERSITY (Iran)

Author keywords

Ab initio calculations; Adsorption; Charge transfer; Nanostructures; Sensors

Indexed keywords

AB INITIO CALCULATIONS; ADSORPTION ENERGIES; CO ADSORPTION; CO AND NO; CO MOLECULE; ELECTRICAL CONDUCTIVITY; EQUILIBRIUM GEOMETRIES; EXTERIOR SURFACES; NO ADSORPTION; NO MOLECULE; STABLE ADSORPTION;

ADSORPTION; ALUMINUM; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRONIC PROPERTIES; NANOSENSORS; NANOSTRUCTURES; SENSORS;

MOLECULES;

EID: 84861708017 PISSN: 09270256 EISSN: None Source Type: Journal
DOI: 10.1016/j.commatsci.2012.05.041 Document Type: Article

Times cited : (146)

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