Ab Initio Study of Mono-Layer Graphene as an Electronical or Optical Sensor for Detecting atoms in the second row of the periodic table

Message:
Article Type:
Research/Original Article (دارای رتبه معتبر)
Abstract:

first principles calculation, we investigate electronic and optical properties of graphene with B, N, O and F adsorption. For the adatom studied the distortion of the graphene layer is quite significant and cause to change hybridization from sp2 to sp3 also we found that B, F and O adsorptions are n-type, p-type and direct semiconductor respectively while N adsorption has a metal behavior. N absorbed graphene show magnetic moment, while B, O and F absorbed graphene exhibit no magnetic moment. The absorption spectrum of monolayer graphene have been calculated for the cases of in plane (E⊥c), out of plane (E‖c) polarization of light and 45° to the plane of graphene layer and compared with atom adsorption on graphene and it was observed that For the case of (E⊥c) the graphene is an optical sensor for finding F atom and in the case of (E‖c) it is an optical sensor to find B atom in environment.

Language:
Persian
Published:
Journal of Optoelectronics, Volume:4 Issue: 1, 2022
Pages:
87 to 94
https://www.magiran.com/p2470720