Abstract
Abstract Since from the inception, 2-D materials have gained considerable attention for sensing applications due to larger surface to volume ratio. Here, we compared the sensing capability of nitride based zigzag edged nanoribbons (ZXNNR, X = B/Al/Ga) for harmful environmental gas. NO2 was considered as the target gas and its adsorption on ZXNNR has been modelled in various possible configurations. It is revealed that the adsorption of NO2 is mediated via formation of chemical bond with the ribbon edges and the process is exothermic in nature for all considered ribbons (BN, AlN and GaN). Moreover, the presence of NO2 molecules caused a significant alteration in the electronic properties of ZXNNR. The reduction in the band gap as compared to pristine configurations is noticed for selective edge adsorption. On the other hand, a pure metallic character is witnessed for NO2 adsorption only at either edge of the ribbon. Interestingly, a perfect negative differential resistance (NDR) is also obtained in some of the structures with a high peak to valley ratio (1.92–20.28). Present findings hold potential of ZXNNR towards NO2 detection. The observed NDR behavior suggests that selective NO2 adsorbed ZXNNR may also find applications in fast switching devices, oscillators and other inorganic nano-devices.
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