Capacitive effect of C۲BN Bilaye r Nanosheet by co mputational chemistry method

More than ten years are passing from the time of verificatio n of theor y of presence of Bohrnithride nanotubs and t hen it has been identified differ ent reports of its synthesis. Nowadays, it seems that it is necessary to know the chemistry of Bohrnitrid compound to preparation of c omposites a nd so on. These com pounds have importa nt applicati on in nanoelectronic wh ere the nan ocarbonic co mpounds ca n’t work ef fectively[۱,۲ ].All calculations have been performed in gas phase using Density Functional Theory (DFT) level of B۳LYP at ۶-۳۱G* standard basis set. All the calculati ons in this study have been performed by Gau ssian ۰۳ pa ckage[۳].

کلیدواژه ها:

Nanosheet ، Capacitor ، Density Functional Theory