The properties determined include the electrostatic potential VS(r) and average local ionization energy ĪS(r) on the surfaces of the investigated tubes. It is revealed that doping BC3NTs with N impurity can significantly improve the tube's surface reactivity and it allows their surface properties to be controlled. There is an obvious increase in the magnitude of VS(r) minima for all the BC3 doped with N atom, compared to the pristine one.