Abstract
The search of novel materials for designing upcoming sensors needs special attention to continue our journey of advanced sensor developments. With this quest, in current work, we discussed the adsorption and interaction of toxic gas (NO) molecules with the extremity of armchair ZnO nanoribbons (AZnONR) in various possible scenarios. Observations indicated that NO-molecule prefers to be attached at the nanoribbon edges via N-side. A stable chemical bond was formed to mediate the bonding between the host ribbon and the guest molecule. The calculated electronic band gap of H-passivated AZnONR are reciprocal to the ribbon size and varies from 3.32 to 2.27 eV corresponding to different widths. All the nanoribbons maintain their perfect planar geometry after NO-adsorption. Interestingly, the adsorption of NO-molecules has profound effect on the electronic properties of AZnONR. A direct to indirect band gap conversion as well as realization of semi-metallic and pure metallic character has been obtained depending upon the adsorption configuration of NO-molecules. Our findings indicate that AZnONR could be a potential material to adsorb and identify the existence of NO gas molecules via change in the electronic properties.
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References
Srivastava P, Abhishek, Sharma V, Jaiswal NK (2020) First-principles investigation of antimonene nanoribbons for sensing toxic NO2 gas. Phys Status Solidi (b) 257(9):2000034
Zhang R, Fu D, Ni J, Sun C, Song S (2019) Adsorption for SO2 gas molecules on B, N, Pand Al doped MoS2: the DFT study. Chem Phys Lett 715:273–277
Yogi R, Jaiswal NK (2021) First-principle investigations of zigzag III-V nitride nanoribbons as CS2 scavengers. Appl Surf Sci 545:148969
Srivastava P, Sharma V, Jaiswal NK (2020) First-principle insights of CO and NO detection via antimonene nanoribbons. Appl Phys A 126:1–19
Esrafili MD, Rad FA (2019) Carbon-doped boron nitride nanosheets as highly sensitive materials for detection of toxic NO and NO2 gases: a DFT study. Vacuum 166:127–134
Topsakal M, Cahangirov S, Bekaroglu E, Ciraci S (2009) First-principles study of zinc oxide honeycomb structures. Phys Rev B 80(23):235119
Kumar R, Rakesh AK, Yogi R, Govindan A, Jaiswal NK (2022) First-principles study of CO adsorption on zigzag ZnO nanoribbons towards nanosensor application. J Mol Graph Model 116:108232
Kumar R, Rakesh AK, Govindan A, Jaiswal NK (2022) Spin dependent electronic properties of NO-adsorbed zigzag ZnO nanoribbons: a DFT study. Materials science and engineering. In: IOP conference series, vol 1248, p 012030
Yogi R, Jaiswal NK, Srivastava P (2020) First-principles study of sensing SO2 adsorption on III–V nitride nanoribbons. Mater Chem Phys 242:122437
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Ravindra, K., Kumar, R.A., Anil, G., Kumar, J.N. (2023). Interaction of NO Gas Molecules with the Edges of Armchair ZnO Nanoribbons for Designing Nanosensors. In: Khan, Z.H., Jackson, M., Salah, N.A. (eds) Recent Advances in Nanotechnology. ICNOC 2022. Springer Proceedings in Materials, vol 28. Springer, Singapore. https://doi.org/10.1007/978-981-99-4685-3_23
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DOI: https://doi.org/10.1007/978-981-99-4685-3_23
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