Adsorption of CO gas molecules on zigzag BN/AlN nanoribbons for nano sensor applications

Publication date: Available online 22 November 2018Source: Physics Letters AAuthor(s): Rachana Yogi, Neeraj K. JaiswalAbstractFirst-principle calculations have been performed to study the sensing of CO gas in various considered configurations. The adsorption of CO on zigzag BN nanoribbon (ZBNNR) and zigzag AlN nanoribbon (ZAlNNR) was modelled in five different possibilities. The effect of CO adsorption is to reduce the band gap in both types (BN/AlN) of the nanoribbons. Interestingly, a finite magnetic moment (0.96 μB for ZBNNR and 0.687 μB for ZAlNNR) has been obtained which depends upon the adsorption configuration of CO. Half-metallicity was also observed upon selective CO adsorption on ZAlNNR irrespective of the ribbon width. Present findings suggest that CO gas molecules could be detected through its adsorption on BN/AlN nanoribbons via changes in electronic and/or magnetic properties. Keywords: boron nitride, aluminium nitride, nanoribbon, sensor, half-metallic.
Source: Physics Letters A - Category: Physics Source Type: research