Study of air stability mechanism of 2D boron antimonide
AIP conference proceedings2019Vol. 2142, pp. 110019–110019
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Abstract
The In this paper we have investigated the stability of 2D monolayer BSb in air, in terms of interaction with oxygen molecule (O2). Present study is based on Density functional theory recommended that O2 molecule could separate to each other spontaneously on the surface of 2D monolayer of BSb, during the dissociation an exothermic process is happened there. The electronic band gap with and without oxygen is 0.31eV (direct) and 0.43eV (indirect). Also, we have investigated optical properties and obtained that in pure BSb higher absorption of photon energy in UV region and oxygen adsorbed BSb also higher absorption of photon energy in UV region. According to this oxidized 2D monolayer BSb is stable after some deformation in structure.
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