Interaction of CO with B Nnanoclu ster surf ace(Corrected)

Boron nitride (BN ) nanomaterials are ex pected to have vast variety applications as electronic device s, high heat- resistance semiconductors, and insulator lubricants beca use of prov iding convenient stability at high temperatur es with high electroni c insulation in air and also hydrogen storage materials [۱] .Boron Nitride(BN) is a compound of Boron and Nitride with a chemical formula BN.As a toxic gas, carbonmonoxide still r emains as o ne of the major gaseo us pollutant s, when the concentrati on of CO increases, it i s dangerous for human body. Sever al theoretic al researc hes for CO adsorption on various surfa ces have been reported[۲].We p erformed D FT calculations to study the adsor ption of CO on the B۱۶N۱۶ andB۲ ۴N۲۴fuller ene-like nanocluster

کلیدواژه ها:

Boron Nitridenano cluster ، Density functio nal theory ، A dsorption ، CO.