adsorption of gas molecules on graphene doped with mono and dual boron as highly sensitive sensors and catalysts

First-principle calculations have been investigated to study the adsorption of the molecules (so2, co, nh3, co2, no2, and no) on the surface of mono boron (b) b-doped and dual b-doped graphene sheets to explore their potential applications as sensors. our findings indicate that the adsorption of (co and nh3) on b-doped graphene and (co and so2) on dual b-doped graphene are weak physisorption with adsorption energy between (0.128 to 0.810) ev. however, the adsorption of (co2, no2, so2, and no) on b-doped graphene and (co2, nh3, no and no2) on dual b-doped graphene are strong chemisorption. the strong interaction of (co2, no2, so2, and no) on b-doped graphene and (co2, nh3, no and no2) on dual b-doped graphene demonstrating that b-doped graphene and dual b-doped graphene could catalyse or activate, suggesting the possibility of b-doped graphene and dual b-doped graphene as a catalyst. moreover, the energy gap of b-doped graphene and dual b-doped graphene is opened upon adsorption of (co, co2, nh3, no, no2 and so2) in various ways. our calculations demonstrate the feasibility of b-doped graphene may be a good sensor for (co and nh3) and dual b-doped graphene could be a good sensor for (co and so2).