Interacti on of CO with SiCnanocluster surface

Silicon carbide(S iC) is a co mpound of s ilicon and carbon with a chemical formula Si C.SiC nanom aterials may be promising semiconductors for preparation of nanoelectronic devices for high-temperature, high-power, and high-f requency a pplications[ ۱].When the concentration of Carbonmonoxide(CO) increa ses, it is dan gerous for human body .There areseveral theoretical studieson CO adsorption on various surfaces [۲-۳]. We performe d DFT calc ulations to study adsorp tion of CO on Si۱۶ C۱۶ and Si۲۴C۲۴fullerene-like nanoclusters and investigated corresponding different electronic properties.

کلیدواژه ها:

Carbo n Silicon na nocluster ، D ensity functional theor y ، Adsorption ، CO