Hydrophobic and antioxidant effects in In, Sn, and Sb based two dimensional materials

Abstract

Hydrophobic and antioxidant effects of two dimensional materials Sn, SnSb, InSb, and InSn are investigated with the implementation of first principles calculations. The stable atomic configurations of two dimensional SnSb, InSb, and InSn are determined where the structures are buckled. Adsorption of water and oxygen molecules over such surfaces reveals that SnSb (with Sb as the top surface) particularly has an outstanding hydrophobic effect while InSb (with Sb as the top surface) has a high antioxidant effect. The physical origin rests on the charge transfer where electrons are transferred from O to H in H₂O, resulting in an increase of polar states between H and O, thereby leading to weak H₂O adsorption on SnSb. On the other hand, there is no charge transfer between O₂ and InSb (with Sb as the top surface) while O₂ adsorption is involved with large electron transfer from the surface to oxygen in other surfaces. Thus, two dimensional SnSb and InSb offer hydrophobic and antioxidant properties, respectively, where such properties would be appreciated for designing surface coatings and electric circuits.