A computational study on the SO2 adsorption by the pristine, Al, and Si doped BN nanosheets

• Published in: Superlattices and microstructures Vol. 100; pp. 350 - 357
• Main Authors: Behmagham, F., Vessally, E., Massoumi, B., Hosseinian, A., Edjlali, L.
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.12.2016
• Subjects: Boron nitride; DFT; Graphene-like; Sensor; Sulfur dioxide; Boron nitride; DFT; Graphene-like; Sulfur dioxide; Sensor

It has been previously indicated that SO2 gas cannot be detected by graphene and a carbon nanotubes. Herein, the reactivity and electronic sensitivity of a boron nitride (BN) nanosheet and its Al- and Si-doped forms to the SO2 gas was investigated, using density functional theory. It was mainly foun...