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In recent times, two dimensional (2D) ZnO has attracted a great attention inthe field of nano-research due to its extraordinary electronic, thermal andoptical properties. In this paper, we have explored the effects of halogenimpurity doping such as F, Cl, and Br atoms on the electronic properties of 2DZnO using first principles calculation. The pristine 2D ZnO exhibits asemiconducting behavior with a direct bandgap of 1.67 eV on the {\Gamma} point.However, when impurities such as F, Cl, or Br atoms are introduced, the 2D ZnOshows semi-metallic behavior with almost zero bandgap. It is perceived that,owing to the introduction of F impurity, the zero bandgap is exhibited at the Kpoint of the electronic band structure. However, in the case of Cl and Brimpurities, the nearly zero bandgap is observed elsewhere rather than on the Kpoint. Moreover, due to the introduction of impurity atoms, the Fermi levelalso shifted towards the conduction band (CB) suggesting an increase of thecarrier concentration in the density of states (DOS) results. These findingsmight be very much beneficial when doping effect, especially halogen impuritydoping is considered to modulate the electronic properties of 2D ZnO in thenear future.

Halogen Doped Electronic Properties of 2D ZnO: A First Principles Study