The binding energy of cytosine-boron nitride sheet systems by computational method

The density functional theory calculations were performed to study the binding energy of cytosine nucleobase to boron nitride sheet. As respect has 4 electron donor atoms, the interaction energy between the atoms of cytosine and one of the boron atoms at 4 positions were calculated and compared. The results show that the binding energy varies for these positions respectively ─N═ > ─NH2 > ═O > ─NH─.

کلیدواژه ها:

Cytosine ، Boron nitride ، Sheet ، DFT ، Binding energy